5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide

C12H8ClN7O — CID 107371883

IUPAC5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cnnn1)c1cnc(Cl)cn1
InChIInChI=1S/C12H8ClN7O/c13-11-6-14-9(5-15-11)12(21)17-8-3-1-2-4-10(8)20-7-16-18-19-20/h1-7H,(H,17,21)
InChIKeyHFSDWTGUEARMRL-UHFFFAOYSA-N
MW301.70 g/mol
LogP1.36
Rot. Bonds3

About 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide

5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 107371883) has the molecular formula C12H8ClN7O and a molecular weight of 301.70 g/mol. Its IUPAC name is 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
PubChem CID107371883
Molecular FormulaC12H8ClN7O
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1-n1cnnn1)c1cnc(Cl)cn1
InChIInChI=1S/C12H8ClN7O/c13-11-6-14-9(5-15-11)12(21)17-8-3-1-2-4-10(8)20-7-16-18-19-20/h1-7H,(H,17,21)
InChIKeyHFSDWTGUEARMRL-UHFFFAOYSA-N
XLogP1.36
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
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CID 54995832
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 115426234
[2-(tetrazol-1-yl)phenyl]thiourea
CID 169356429
3-[(5-chloropyrazine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 136701768
5-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazine-2-carboxamide
CID 103817139
3,3-dicyclopropyl-N-[2-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 75416132
2-(2-methoxyethylamino)-N-[2-(tetrazol-1-yl)phenyl]acetamide
CID 79282051
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
2-chloro-6-[(5-chloropyrazine-2-carbonyl)amino]benzoic acid
CID 107371540
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide (CID 107371883) is 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccccc1-n1cnnn1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is HFSDWTGUEARMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN7O/c13-11-6-14-9(5-15-11)12(21)17-8-3-1-2-4-10(8)20-7-16-18-19-20/h1-7H,(H,17,21).
What are the key properties of 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide?
5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 301.70 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(tetrazol-1-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 107371883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).