2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide

C6H7N7O — CID 139628196

IUPAC2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nn[nH]n2)[nH]1
InChIInChI=1S/C6H7N7O/c1-3-7-2-4(8-3)5(14)9-6-10-12-13-11-6/h2H,1H3,(H,7,8)(H2,9,10,11,12,13,14)
InChIKeyITOSRAUTLRYRKY-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.52
Rot. Bonds2

About 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide

2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide (PubChem CID 139628196) has the molecular formula C6H7N7O and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide
PubChem CID139628196
Molecular FormulaC6H7N7O
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)Nc2nn[nH]n2)[nH]1
InChIInChI=1S/C6H7N7O/c1-3-7-2-4(8-3)5(14)9-6-10-12-13-11-6/h2H,1H3,(H,7,8)(H2,9,10,11,12,13,14)
InChIKeyITOSRAUTLRYRKY-UHFFFAOYSA-N
XLogP-0.52
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide (CID 139628196) is 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)Nc2nn[nH]n2)[nH]1.
What is the InChIKey of 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide?
The InChIKey is ITOSRAUTLRYRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7O/c1-3-7-2-4(8-3)5(14)9-6-10-12-13-11-6/h2H,1H3,(H,7,8)(H2,9,10,11,12,13,14).
What are the key properties of 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide?
2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide has a molecular weight of 193.17 g/mol, XLogP of -0.52, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2H-tetrazol-5-yl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 139628196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).