CS-0914466
6-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)picolinonitrile
Manufacturer: ChemScene
CAS Number: 2227142-15-4
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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
C₁₃H₈N₆
Molecular Weight
248.24
Synonyms
None
SMILES
N#CC1=NC(=CC=C1)C2=NN=C(N2)C=3C=CN=CC3
Tpsa
91.14
Logp
1.80038
H Acceptors
5
H Donors
1
Rotatable Bonds
2
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₃H₈N₆
Molecular Weight: 248.24
Synonyms: None
SMILES: N#CC1=NC(=CC=C1)C2=NN=C(N2)C=3C=CN=CC3
Tpsa: 91.14
Logp: 1.80038
H Acceptors: 5
H Donors: 1
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:
C₁₃H₈N₆
Molecular Weight:
248.24
Synonyms:
None
SMILES:
N#CC1=NC(=CC=C1)C2=NN=C(N2)C=3C=CN=CC3
Tpsa:
91.14
Logp:
1.80038
H Acceptors:
5
H Donors:
1
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: C₇H₆N₄O
Molecular Weight: 162.15
Synonyms: None
SMILES: N#CC=1N=C(C=CC1)C(=O)NN
Tpsa: 91.8
Logp: -0.44322
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆N₄O
Molecular Weight:
162.15
Synonyms:
None
SMILES:
N#CC=1N=C(C=CC1)C(=O)NN
Tpsa:
91.8
Logp:
-0.44322
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂N₈
Molecular Weight: 280.29
Synonyms: None
SMILES: N=C(NN)C1=NC=CC(=C1)C2=NN=C(N2)C=3C=CN=CC3
Tpsa: 129.25
Logp: 0.71737
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂N₈
Molecular Weight:
280.29
Synonyms:
None
SMILES:
N=C(NN)C1=NC=CC(=C1)C2=NN=C(N2)C=3C=CN=CC3
Tpsa:
129.25
Logp:
0.71737
H Acceptors:
6
H Donors:
4
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: C₂₉H₃₂BrNO₃
Molecular Weight: 522.47
Synonyms: None
SMILES: [Br-].O=C(OCC[N+]12CCC(CC1)(CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4)C=5C=CC=CC5
Tpsa: 46.53
Logp: 1.7842
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₂BrNO₃
Molecular Weight:
522.47
Synonyms:
None
SMILES:
[Br-].O=C(OCC[N+]12CCC(CC1)(CC2)C(O)(C=3C=CC=CC3)C=4C=CC=CC4)C=5C=CC=CC5
Tpsa:
46.53
Logp:
1.7842
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7