1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea

C11H17N7O — CID 46995545

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea
SMILESCCn1cnc(NC(=O)NCc2nccn2CC)n1
InChIInChI=1S/C11H17N7O/c1-3-17-6-5-12-9(17)7-13-11(19)15-10-14-8-18(4-2)16-10/h5-6,8H,3-4,7H2,1-2H3,(H2,13,15,16,19)
InChIKeyVRYQNCLYIHTBNP-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.84
Rot. Bonds5

About 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea

1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea (PubChem CID 46995545) has the molecular formula C11H17N7O and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea
PubChem CID46995545
Molecular FormulaC11H17N7O
Molecular Weight263.31 g/mol
Exact Mass263.15
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea
SMILESCCn1cnc(NC(=O)NCc2nccn2CC)n1
InChIInChI=1S/C11H17N7O/c1-3-17-6-5-12-9(17)7-13-11(19)15-10-14-8-18(4-2)16-10/h5-6,8H,3-4,7H2,1-2H3,(H2,13,15,16,19)
InChIKeyVRYQNCLYIHTBNP-UHFFFAOYSA-N
XLogP0.84
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea 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 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea (CID 46995545) is 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea is CCn1cnc(NC(=O)NCc2nccn2CC)n1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea?
The InChIKey is VRYQNCLYIHTBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O/c1-3-17-6-5-12-9(17)7-13-11(19)15-10-14-8-18(4-2)16-10/h5-6,8H,3-4,7H2,1-2H3,(H2,13,15,16,19).
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea?
1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea has a molecular weight of 263.31 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-3-(1-ethyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 46995545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).