1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea

C7H11N5O — CID 130652678

IUPAC1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCn1ncnc1NC(=O)NC1CC1
InChIInChI=1S/C7H11N5O/c1-12-6(8-4-9-12)11-7(13)10-5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9,10,11,13)
InChIKeyQKQVYMUHRUHQPP-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.10
Rot. Bonds2

About 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea

1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea (PubChem CID 130652678) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea
PubChem CID130652678
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea
SMILESCn1ncnc1NC(=O)NC1CC1
InChIInChI=1S/C7H11N5O/c1-12-6(8-4-9-12)11-7(13)10-5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9,10,11,13)
InChIKeyQKQVYMUHRUHQPP-UHFFFAOYSA-N
XLogP0.10
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-(2-methyl-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

Related Compounds

1-methoxy-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 130667068
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 136520325
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-(3-methylbut-2-enyl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 99836088
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
4-bromo-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80709266
1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75435258
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603
1-[4-(aminomethyl)-1-methylpyrazol-5-yl]-3-cyclobutylurea
CID 116658180
N-(2-methyl-1,2,4-triazol-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103800959
1-cyclopropyl-3-pyrimidin-5-ylurea
CID 104859363

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea (CID 130652678) is 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea is Cn1ncnc1NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea?
The InChIKey is QKQVYMUHRUHQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-12-6(8-4-9-12)11-7(13)10-5-2-3-5/h4-5H,2-3H2,1H3,(H2,8,9,10,11,13).
What are the key properties of 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea?
1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea has a molecular weight of 181.20 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 130652678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).