6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide

C13H12N8O — CID 14183513

IUPAC6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
SMILESCc1ccccc1Nc1cncc(C(=O)Nc2nn[nH]n2)n1
InChIInChI=1S/C13H12N8O/c1-8-4-2-3-5-9(8)15-11-7-14-6-10(16-11)12(22)17-13-18-20-21-19-13/h2-7H,1H3,(H,15,16)(H2,17,18,19,20,21,22)
InChIKeyQKXBCFMWLAEBJS-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.29
Rot. Bonds4

About 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide

6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide (PubChem CID 14183513) has the molecular formula C13H12N8O and a molecular weight of 296.29 g/mol. Its IUPAC name is 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
PubChem CID14183513
Molecular FormulaC13H12N8O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
SMILESCc1ccccc1Nc1cncc(C(=O)Nc2nn[nH]n2)n1
InChIInChI=1S/C13H12N8O/c1-8-4-2-3-5-9(8)15-11-7-14-6-10(16-11)12(22)17-13-18-20-21-19-13/h2-7H,1H3,(H,15,16)(H2,17,18,19,20,21,22)
InChIKeyQKXBCFMWLAEBJS-UHFFFAOYSA-N
XLogP1.29
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(tert-butylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14183506
6-(butan-2-ylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14183505
6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14601820
CID 70476554
CID 70476554
6-(2-chloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 114250898
N-(2-methylphenyl)-6-pyridin-3-ylpyrazin-2-amine
CID 141083596
3,6-dimethyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 13209568
N-(2-methylphenyl)-6-piperidin-4-ylpyrazine-2-carboxamide
CID 95825784
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
N-(2H-tetrazol-5-yl)naphthalene-1-carboxamide
CID 5100620
5-(4-methylphenyl)-N-(2H-tetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 139676219
1-naphthalen-1-yl-3-(2H-tetrazol-5-yl)urea
CID 4657421

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide (CID 14183513) is 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide is Cc1ccccc1Nc1cncc(C(=O)Nc2nn[nH]n2)n1.
What is the InChIKey of 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is QKXBCFMWLAEBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8O/c1-8-4-2-3-5-9(8)15-11-7-14-6-10(16-11)12(22)17-13-18-20-21-19-13/h2-7H,1H3,(H,15,16)(H2,17,18,19,20,21,22).
What are the key properties of 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide?
6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 14183513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).