N-ethylimidazole-1-carboxamide

C6H9N3O — CID 12784366

IUPACN-ethylimidazole-1-carboxamide
SMILESCCNC(=O)n1ccnc1
InChIInChI=1S/C6H9N3O/c1-2-8-6(10)9-4-3-7-5-9/h3-5H,2H2,1H3,(H,8,10)
InChIKeyWLNIMHJTXBDWNO-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.46
Rot. Bonds1

About N-ethylimidazole-1-carboxamide

N-ethylimidazole-1-carboxamide (PubChem CID 12784366) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N-ethylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-ethylimidazole-1-carboxamide
PubChem CID12784366
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN-ethylimidazole-1-carboxamide
SMILESCCNC(=O)n1ccnc1
InChIInChI=1S/C6H9N3O/c1-2-8-6(10)9-4-3-7-5-9/h3-5H,2H2,1H3,(H,8,10)
InChIKeyWLNIMHJTXBDWNO-UHFFFAOYSA-N
XLogP0.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylimidazole-1-carboxamide?
The IUPAC name of N-ethylimidazole-1-carboxamide (CID 12784366) is N-ethylimidazole-1-carboxamide.
What is the SMILES notation for N-ethylimidazole-1-carboxamide?
The canonical SMILES for N-ethylimidazole-1-carboxamide is CCNC(=O)n1ccnc1.
What is the InChIKey of N-ethylimidazole-1-carboxamide?
The InChIKey is WLNIMHJTXBDWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-8-6(10)9-4-3-7-5-9/h3-5H,2H2,1H3,(H,8,10).
What are the key properties of N-ethylimidazole-1-carboxamide?
N-ethylimidazole-1-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylimidazole-1-carboxamide is sourced from PubChem (CID 12784366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).