CS-0546552
2-(6-Chloro-5-methyl-7-oxo-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 878713-16-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₇ClN₄O₃
Molecular Weight
242.62
Synonyms
ASINEX-REAG BAS 12403142
SMILES
CC1=C(C(=O)N2C(=N1)N=C(N2)CC(=O)O)Cl
Tpsa
100.35
Logp
0.00652
H Acceptors
5
H Donors
2
Rotatable Bonds
2
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇ClN₄O₃
Molecular Weight: 242.62
Synonyms: ASINEX-REAG BAS 12403142
SMILES: CC1=C(C(=O)N2C(=N1)N=C(N2)CC(=O)O)Cl
Tpsa: 100.35
Logp: 0.00652
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇ClN₄O₃
Molecular Weight:
242.62
Synonyms:
ASINEX-REAG BAS 12403142
SMILES:
CC1=C(C(=O)N2C(=N1)N=C(N2)CC(=O)O)Cl
Tpsa:
100.35
Logp:
0.00652
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₃N₃OS₂
Molecular Weight: 303.40
Synonyms: None
SMILES: CC1=CC=C(C=C1)SCC(=O)C2=C(N3C(=NC=N3)S2)C
Tpsa: 47.26
Logp: 3.38264
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃N₃OS₂
Molecular Weight:
303.40
Synonyms:
None
SMILES:
CC1=CC=C(C=C1)SCC(=O)C2=C(N3C(=NC=N3)S2)C
Tpsa:
47.26
Logp:
3.38264
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₇N₃O₂
Molecular Weight: 295.34
Synonyms: 3-methyl-1-(2-phenoxyethyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES: CC1=NN(C(=O)N1C2=CC=CC=C2)CCOC3=CC=CC=C3
Tpsa: 49.05
Logp: 2.42142
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₇N₃O₂
Molecular Weight:
295.34
Synonyms:
3-methyl-1-(2-phenoxyethyl)-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES:
CC1=NN(C(=O)N1C2=CC=CC=C2)CCOC3=CC=CC=C3
Tpsa:
49.05
Logp:
2.42142
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₄ClN₃O
Molecular Weight: 299.75
Synonyms: 1-[(4-chlorophenyl)methyl]-3-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES: CC1=NN(C(=O)N1C2=CC=CC=C2)CC3=CC=C(C=C3)Cl
Tpsa: 39.82
Logp: 3.04412
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₄ClN₃O
Molecular Weight:
299.75
Synonyms:
1-[(4-chlorophenyl)methyl]-3-methyl-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one
SMILES:
CC1=NN(C(=O)N1C2=CC=CC=C2)CC3=CC=C(C=C3)Cl
Tpsa:
39.82
Logp:
3.04412
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3