N,N,4-trimethylimidazole-1-carboxamide

C7H11N3O — CID 14231157

IUPACN,N,4-trimethylimidazole-1-carboxamide
SMILESCc1cn(C(=O)N(C)C)cn1
InChIInChI=1S/C7H11N3O/c1-6-4-10(5-8-6)7(11)9(2)3/h4-5H,1-3H3
InChIKeySJPPMWFYBQYDCV-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.72
Rot. Bonds

About N,N,4-trimethylimidazole-1-carboxamide

N,N,4-trimethylimidazole-1-carboxamide (PubChem CID 14231157) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is N,N,4-trimethylimidazole-1-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethylimidazole-1-carboxamide
PubChem CID14231157
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC NameN,N,4-trimethylimidazole-1-carboxamide
SMILESCc1cn(C(=O)N(C)C)cn1
InChIInChI=1S/C7H11N3O/c1-6-4-10(5-8-6)7(11)9(2)3/h4-5H,1-3H3
InChIKeySJPPMWFYBQYDCV-UHFFFAOYSA-N
XLogP0.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylimidazole-1-carboxamide?
The IUPAC name of N,N,4-trimethylimidazole-1-carboxamide (CID 14231157) is N,N,4-trimethylimidazole-1-carboxamide.
What is the SMILES notation for N,N,4-trimethylimidazole-1-carboxamide?
The canonical SMILES for N,N,4-trimethylimidazole-1-carboxamide is Cc1cn(C(=O)N(C)C)cn1.
What is the InChIKey of N,N,4-trimethylimidazole-1-carboxamide?
The InChIKey is SJPPMWFYBQYDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6-4-10(5-8-6)7(11)9(2)3/h4-5H,1-3H3.
What are the key properties of N,N,4-trimethylimidazole-1-carboxamide?
N,N,4-trimethylimidazole-1-carboxamide has a molecular weight of 153.18 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylimidazole-1-carboxamide is sourced from PubChem (CID 14231157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).