N,N-dimethyl-1H-imidazole-2-carboxamide

C6H9N3O — CID 57114848

IUPACN,N-dimethyl-1H-imidazole-2-carboxamide
SMILESCN(C)C(=O)c1ncc[nH]1
InChIInChI=1S/C6H9N3O/c1-9(2)6(10)5-7-3-4-8-5/h3-4H,1-2H3,(H,7,8)
InChIKeyQIQICVKRWUAGNC-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.11
Rot. Bonds1

About N,N-dimethyl-1H-imidazole-2-carboxamide

N,N-dimethyl-1H-imidazole-2-carboxamide (PubChem CID 57114848) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is N,N-dimethyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1H-imidazole-2-carboxamide
PubChem CID57114848
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC NameN,N-dimethyl-1H-imidazole-2-carboxamide
SMILESCN(C)C(=O)c1ncc[nH]1
InChIInChI=1S/C6H9N3O/c1-9(2)6(10)5-7-3-4-8-5/h3-4H,1-2H3,(H,7,8)
InChIKeyQIQICVKRWUAGNC-UHFFFAOYSA-N
XLogP0.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1H-imidazole-2-carboxamide?
The IUPAC name of N,N-dimethyl-1H-imidazole-2-carboxamide (CID 57114848) is N,N-dimethyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1H-imidazole-2-carboxamide is CN(C)C(=O)c1ncc[nH]1.
What is the InChIKey of N,N-dimethyl-1H-imidazole-2-carboxamide?
The InChIKey is QIQICVKRWUAGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-9(2)6(10)5-7-3-4-8-5/h3-4H,1-2H3,(H,7,8).
What are the key properties of N,N-dimethyl-1H-imidazole-2-carboxamide?
N,N-dimethyl-1H-imidazole-2-carboxamide has a molecular weight of 139.16 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 57114848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).