N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide

C6H7N7O — CID 81270155

IUPACN-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide
SMILESO=C(NCc1nn[nH]n1)n1ccnc1
InChIInChI=1S/C6H7N7O/c14-6(13-2-1-7-4-13)8-3-5-9-11-12-10-5/h1-2,4H,3H2,(H,8,14)(H,9,10,11,12)
InChIKeyPKUNAYQNENDJNQ-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.85
Rot. Bonds2

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

N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide (PubChem CID 81270155) has the molecular formula C6H7N7O and a molecular weight of 193.17 g/mol. Its IUPAC name is N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide
PubChem CID81270155
Molecular FormulaC6H7N7O
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide
SMILESO=C(NCc1nn[nH]n1)n1ccnc1
InChIInChI=1S/C6H7N7O/c14-6(13-2-1-7-4-13)8-3-5-9-11-12-10-5/h1-2,4H,3H2,(H,8,14)(H,9,10,11,12)
InChIKeyPKUNAYQNENDJNQ-UHFFFAOYSA-N
XLogP-0.85
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide (CID 81270155) is N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide is O=C(NCc1nn[nH]n1)n1ccnc1.
What is the InChIKey of N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide?
The InChIKey is PKUNAYQNENDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N7O/c14-6(13-2-1-7-4-13)8-3-5-9-11-12-10-5/h1-2,4H,3H2,(H,8,14)(H,9,10,11,12).
What are the key properties of N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide?
N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide has a molecular weight of 193.17 g/mol, XLogP of -0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-ylmethyl)imidazole-1-carboxamide is sourced from PubChem (CID 81270155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).