N,N,3-trimethylimidazol-3-ium-1-carboxamide

C7H12N3O+ — CID 2044262

IUPACN,N,3-trimethylimidazol-3-ium-1-carboxamide
SMILESCN(C)C(=O)n1cc[n+](C)c1
InChIInChI=1S/C7H12N3O/c1-8(2)7(11)10-5-4-9(3)6-10/h4-6H,1-3H3/q+1
InChIKeyDPSNUDOHYRAANZ-UHFFFAOYSA-N
MW154.19 g/mol
LogP-0.16
Rot. Bonds

About N,N,3-trimethylimidazol-3-ium-1-carboxamide

N,N,3-trimethylimidazol-3-ium-1-carboxamide (PubChem CID 2044262) has the molecular formula C7H12N3O+ and a molecular weight of 154.19 g/mol. Its IUPAC name is N,N,3-trimethylimidazol-3-ium-1-carboxamide.

Molecular Properties

Compound NameN,N,3-trimethylimidazol-3-ium-1-carboxamide
PubChem CID2044262
Molecular FormulaC7H12N3O+
Molecular Weight154.19 g/mol
Exact Mass154.10
IUPAC NameN,N,3-trimethylimidazol-3-ium-1-carboxamide
SMILESCN(C)C(=O)n1cc[n+](C)c1
InChIInChI=1S/C7H12N3O/c1-8(2)7(11)10-5-4-9(3)6-10/h4-6H,1-3H3/q+1
InChIKeyDPSNUDOHYRAANZ-UHFFFAOYSA-N
XLogP-0.16
TPSA29.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,N,3-trimethylimidazol-3-ium-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethylimidazol-3-ium-1-carboxamide?
The IUPAC name of N,N,3-trimethylimidazol-3-ium-1-carboxamide (CID 2044262) is N,N,3-trimethylimidazol-3-ium-1-carboxamide.
What is the SMILES notation for N,N,3-trimethylimidazol-3-ium-1-carboxamide?
The canonical SMILES for N,N,3-trimethylimidazol-3-ium-1-carboxamide is CN(C)C(=O)n1cc[n+](C)c1.
What is the InChIKey of N,N,3-trimethylimidazol-3-ium-1-carboxamide?
The InChIKey is DPSNUDOHYRAANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N3O/c1-8(2)7(11)10-5-4-9(3)6-10/h4-6H,1-3H3/q+1.
What are the key properties of N,N,3-trimethylimidazol-3-ium-1-carboxamide?
N,N,3-trimethylimidazol-3-ium-1-carboxamide has a molecular weight of 154.19 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethylimidazol-3-ium-1-carboxamide is sourced from PubChem (CID 2044262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).