N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide

C14H13N7O — CID 858833

IUPACN-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide
SMILESCCn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
InChIInChI=1S/C14H13N7O/c1-2-21-19-13(18-20-21)10-5-3-4-6-11(10)17-14(22)12-9-15-7-8-16-12/h3-9H,2H2,1H3,(H,17,22)
InChIKeySSBMGOSTPVXOQS-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide

N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 858833) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide
PubChem CID858833
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC NameN-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide
SMILESCCn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
InChIInChI=1S/C14H13N7O/c1-2-21-19-13(18-20-21)10-5-3-4-6-11(10)17-14(22)12-9-15-7-8-16-12/h3-9H,2H2,1H3,(H,17,22)
InChIKeySSBMGOSTPVXOQS-UHFFFAOYSA-N
XLogP1.40
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Amino-N-Methyl-6-[3-(1h-Tetrazol-5-Yl)phenyl]pyrazine-2-Carboxamide
CID 10357196
1-[1-(4-methylphenyl)ethyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 6483911
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 3245050
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-2-ylmethyl)-amide
CID 644529
1-(1-p-Tolyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
CID 645167
1-[1-(2-Fluoro-phenyl)-ethyl]-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-4-ylmethyl)-amide
CID 647546
1-Phenethyl-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 649335
N-(4-(1H-tetrazol-1-yl)phenyl)-5-methylpyrazine-2-carboxamide
CID 649768
1-(1-p-Tolyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
CID 650396
5-Methyl-pyrazine-2-carboxylic acid [2-(2-cyclopentylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 655675
Pyrazine-2-carboxylic acid [2-(2-carbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 858281
Pyrazine-2-carboxylic acid {2-[2-(tert-butylcarbamoyl-methyl)-2H-tetrazol-5-yl]-phenyl}-amide
CID 1081043

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide (CID 858833) is N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide is CCn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1.
What is the InChIKey of N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is SSBMGOSTPVXOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-2-21-19-13(18-20-21)10-5-3-4-6-11(10)17-14(22)12-9-15-7-8-16-12/h3-9H,2H2,1H3,(H,17,22).
What are the key properties of N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide?
N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethyltetrazol-5-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 858833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).