N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide

C7H9N7O — CID 81270154

IUPACN-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide
SMILESCC(NC(=O)n1ccnc1)c1nn[nH]n1
InChIInChI=1S/C7H9N7O/c1-5(6-10-12-13-11-6)9-7(15)14-3-2-8-4-14/h2-5H,1H3,(H,9,15)(H,10,11,12,13)
InChIKeyDEKUGNAECAAZKQ-UHFFFAOYSA-N
MW207.20 g/mol
LogP-0.28
Rot. Bonds2

About N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide

N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide (PubChem CID 81270154) has the molecular formula C7H9N7O and a molecular weight of 207.20 g/mol. Its IUPAC name is N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide
PubChem CID81270154
Molecular FormulaC7H9N7O
Molecular Weight207.20 g/mol
Exact Mass207.09
IUPAC NameN-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide
SMILESCC(NC(=O)n1ccnc1)c1nn[nH]n1
InChIInChI=1S/C7H9N7O/c1-5(6-10-12-13-11-6)9-7(15)14-3-2-8-4-14/h2-5H,1H3,(H,9,15)(H,10,11,12,13)
InChIKeyDEKUGNAECAAZKQ-UHFFFAOYSA-N
XLogP-0.28
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 99927628
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CID 129818793
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CID 20329402
CID 20329402
CID 21321304
CID 21321304
CID 66808741
CID 66808741
CID 81270155
CID 81270155
CID 105898926
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CID 130651477
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CID 154364354
CID 154364354

Frequently Asked Questions

What is the IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide (CID 81270154) is N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide is CC(NC(=O)n1ccnc1)c1nn[nH]n1.
What is the InChIKey of N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide?
The InChIKey is DEKUGNAECAAZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O/c1-5(6-10-12-13-11-6)9-7(15)14-3-2-8-4-14/h2-5H,1H3,(H,9,15)(H,10,11,12,13).
What are the key properties of N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide?
N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide has a molecular weight of 207.20 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2H-tetrazol-5-yl)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 81270154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).