3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide

C13H12N8O — CID 10357196

IUPAC3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(-c3nn[nH]n3)c2)cnc1N
InChIInChI=1S/C13H12N8O/c1-15-13(22)10-11(14)16-6-9(17-10)7-3-2-4-8(5-7)12-18-20-21-19-12/h2-6H,1H3,(H2,14,16)(H,15,22)(H,18,19,20,21)
InChIKeyPLUDSXLHMVRUKP-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.27
Rot. Bonds3

About 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide

3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide (PubChem CID 10357196) has the molecular formula C13H12N8O and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide
PubChem CID10357196
Molecular FormulaC13H12N8O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(-c3nn[nH]n3)c2)cnc1N
InChIInChI=1S/C13H12N8O/c1-15-13(22)10-11(14)16-6-9(17-10)7-3-2-4-8(5-7)12-18-20-21-19-12/h2-6H,1H3,(H2,14,16)(H,15,22)(H,18,19,20,21)
InChIKeyPLUDSXLHMVRUKP-UHFFFAOYSA-N
XLogP0.27
TPSA135.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-cyclopentyl-6-phenyl-2-Pyrazinecarboxamide
CID 10401520
3-amino-N-phenyl-6-(m-tolyl)pyrazine-2-carboxamide
CID 52937362
Pyrazine-2-carboxylic acid [2-(2-carbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 858281
5-amino-1-(3-methylphenyl)-N-(pyridin-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 3240831
1-(6-methyl-2-pyridinyl)-N'-[(E)-phenylmethylidene]-1H-imidazole-4-carbohydrazide
CID 9560010
3-amino-N-cyclohexyl-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 9861510
3-amino-N-(sec-butyl)-6-phenyl-2-pyrazinecarboxamide
CID 13915476
3-amino-5-(biphenyl-3-yl)-N-(diaminomethylene)pyrazine-2-carboxamide
CID 42630453
3-amino-6-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-piperidin-4-ylpropan-2-yl)pyrazine-2-carboxamide
CID 70687569
3-amino-N-methyl-6-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 71451228
3-amino-N-pentan-3-yl-6-phenylpyrazine-2-carboxamide
CID 122185547
3-amino-N-pentan-2-yl-6-phenylpyrazine-2-carboxamide
CID 122185549

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide (CID 10357196) is 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(-c3nn[nH]n3)c2)cnc1N.
What is the InChIKey of 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide?
The InChIKey is PLUDSXLHMVRUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N8O/c1-15-13(22)10-11(14)16-6-9(17-10)7-3-2-4-8(5-7)12-18-20-21-19-12/h2-6H,1H3,(H2,14,16)(H,15,22)(H,18,19,20,21).
What are the key properties of 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide?
3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-[3-(2H-tetrazol-5-yl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 10357196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).