AA63862
1458-16-8 | Methyl 3-amino-6-iodopyrazine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA63862
ChemicalName
Methyl 3-amino-6-iodopyrazine-2-carboxylate
CasNumber
1458-16-8
MolecularFormula
C6H6IN3O2
MolecularWeight
279.0352
MdlNumber
MFCD09909640
Smiles
COC(=O)c1nc(I)cnc1N
Complexity
178
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AA63862
ChemicalName: Methyl 3-amino-6-iodopyrazine-2-carboxylate
CasNumber: 1458-16-8
MolecularFormula: C6H6IN3O2
MolecularWeight: 279.0352
MdlNumber: MFCD09909640
Smiles: COC(=O)c1nc(I)cnc1N
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AA63862
ChemicalName:
Methyl 3-amino-6-iodopyrazine-2-carboxylate
CasNumber:
1458-16-8
MolecularFormula:
C6H6IN3O2
MolecularWeight:
279.0352
MdlNumber:
MFCD09909640
Smiles:
COC(=O)c1nc(I)cnc1N
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: AA63864
ChemicalName: Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
CasNumber: 1458-01-1
MolecularFormula: C6H7ClN4O2
MolecularWeight: 202.5984
MdlNumber: MFCD01928388
Smiles: COC(=O)c1nc(Cl)c(nc1N)N
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AA63864
ChemicalName:
Methyl 3,5-diamino-6-chloropyrazine-2-carboxylate
CasNumber:
1458-01-1
MolecularFormula:
C6H7ClN4O2
MolecularWeight:
202.5984
MdlNumber:
MFCD01928388
Smiles:
COC(=O)c1nc(Cl)c(nc1N)N
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC[N+](CC)(CC)CC.[F-].F.F.F.F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC[N+](CC)(CC)CC.[F-].F.F.F.F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA63874
ChemicalName: Tiagabine hydrochloride
CasNumber: 145821-59-6
MolecularFormula: C20H26ClNO2S2
MolecularWeight: 412.0089
MdlNumber: MFCD07369025
Smiles: OC(=O)[C@@H]1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C.Cl
Complexity: 474
Covalently-bondedUnitCount: 2
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: __
CatalogNumber:
AA63874
ChemicalName:
Tiagabine hydrochloride
CasNumber:
145821-59-6
MolecularFormula:
C20H26ClNO2S2
MolecularWeight:
412.0089
MdlNumber:
MFCD07369025
Smiles:
OC(=O)[C@@H]1CCCN(C1)CCC=C(c1sccc1C)c1sccc1C.Cl
Complexity:
474
Covalently-bondedUnitCount:
2
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
__