3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid

C12H8N6O3 — CID 63262203

IUPAC3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H8N6O3/c19-11(6-1-2-7-8(5-6)17-18-16-7)15-10-9(12(20)21)13-3-4-14-10/h1-5H,(H,20,21)(H,14,15,19)(H,16,17,18)
InChIKeyLLWPTCOPNQQRPV-UHFFFAOYSA-N
MW284.24 g/mol
LogP0.70
Rot. Bonds3

About 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid

3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid (PubChem CID 63262203) has the molecular formula C12H8N6O3 and a molecular weight of 284.24 g/mol. Its IUPAC name is 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid
PubChem CID63262203
Molecular FormulaC12H8N6O3
Molecular Weight284.24 g/mol
Exact Mass284.07
IUPAC Name3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid
SMILESO=C(Nc1nccnc1C(=O)O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C12H8N6O3/c19-11(6-1-2-7-8(5-6)17-18-16-7)15-10-9(12(20)21)13-3-4-14-10/h1-5H,(H,20,21)(H,14,15,19)(H,16,17,18)
InChIKeyLLWPTCOPNQQRPV-UHFFFAOYSA-N
XLogP0.70
TPSA133.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dihydroxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 136904575
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
3-[(3-hydroxy-4-methoxybenzoyl)amino]pyrazine-2-carboxylic acid
CID 79737285
3-[(4-ethylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262061
3-[(3-bromo-4-fluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 107949162
N-(1,3-thiazol-2-yl)-2H-benzotriazole-5-carboxamide
CID 18276930
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062
3-[(3,4,5-trifluorobenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262348
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
N-(3,4-difluorophenyl)-2H-benzotriazole-5-carboxamide
CID 110468853
N-(3-methyl-4-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 56783123

Frequently Asked Questions

What is the IUPAC name of 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid (CID 63262203) is 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid is O=C(Nc1nccnc1C(=O)O)c1ccc2n[nH]nc2c1.
What is the InChIKey of 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid?
The InChIKey is LLWPTCOPNQQRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O3/c19-11(6-1-2-7-8(5-6)17-18-16-7)15-10-9(12(20)21)13-3-4-14-10/h1-5H,(H,20,21)(H,14,15,19)(H,16,17,18).
What are the key properties of 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid?
3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid has a molecular weight of 284.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-benzotriazole-5-carbonylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).