N-ethyl-1H-imidazole-2-carboxamide

C6H9N3O — CID 12945816

IUPACN-ethyl-1H-imidazole-2-carboxamide
SMILESCCNC(=O)c1ncc[nH]1
InChIInChI=1S/C6H9N3O/c1-2-7-6(10)5-8-3-4-9-5/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKeyJMNJHULVNRDAFL-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.16
Rot. Bonds2

About N-ethyl-1H-imidazole-2-carboxamide

N-ethyl-1H-imidazole-2-carboxamide (PubChem CID 12945816) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-ethyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1H-imidazole-2-carboxamide
PubChem CID12945816
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-ethyl-1H-imidazole-2-carboxamide
SMILESCCNC(=O)c1ncc[nH]1
InChIInChI=1S/C6H9N3O/c1-2-7-6(10)5-8-3-4-9-5/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKeyJMNJHULVNRDAFL-UHFFFAOYSA-N
XLogP0.16
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-ethyl-1H-imidazole-2-carboxamide (CID 12945816) is N-ethyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-ethyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-ethyl-1H-imidazole-2-carboxamide is CCNC(=O)c1ncc[nH]1.
What is the InChIKey of N-ethyl-1H-imidazole-2-carboxamide?
The InChIKey is JMNJHULVNRDAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-7-6(10)5-8-3-4-9-5/h3-4H,2H2,1H3,(H,7,10)(H,8,9).
What are the key properties of N-ethyl-1H-imidazole-2-carboxamide?
N-ethyl-1H-imidazole-2-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 12945816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).