1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea

C16H21N5O — CID 84590782

IUPAC1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea
SMILESCc1nc(C)n(-c2ccccc2NC(=O)NCCC2CC2)n1
InChIInChI=1S/C16H21N5O/c1-11-18-12(2)21(20-11)15-6-4-3-5-14(15)19-16(22)17-10-9-13-7-8-13/h3-6,13H,7-10H2,1-2H3,(H2,17,19,22)
InChIKeyVIYPVHGZAHMACQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.81
Rot. Bonds5

About 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea

1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea (PubChem CID 84590782) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea
PubChem CID84590782
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea
SMILESCc1nc(C)n(-c2ccccc2NC(=O)NCCC2CC2)n1
InChIInChI=1S/C16H21N5O/c1-11-18-12(2)21(20-11)15-6-4-3-5-14(15)19-16(22)17-10-9-13-7-8-13/h3-6,13H,7-10H2,1-2H3,(H2,17,19,22)
InChIKeyVIYPVHGZAHMACQ-UHFFFAOYSA-N
XLogP2.81
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]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-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 75433856
1-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 71847782
1-(2-cyclohexylethyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108888594
1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599
3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-1-methyl-1-[(2-methylfuran-3-yl)methyl]urea
CID 75433860
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336833
1-[2-(2-chlorophenoxy)phenyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 56519173
1-propyl-3-(2-pyrrolidin-1-ylphenyl)urea
CID 47107994
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea?
The IUPAC name of 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea (CID 84590782) is 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea?
The canonical SMILES for 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea is Cc1nc(C)n(-c2ccccc2NC(=O)NCCC2CC2)n1.
What is the InChIKey of 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea?
The InChIKey is VIYPVHGZAHMACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-18-12(2)21(20-11)15-6-4-3-5-14(15)19-16(22)17-10-9-13-7-8-13/h3-6,13H,7-10H2,1-2H3,(H2,17,19,22).
What are the key properties of 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea?
1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea has a molecular weight of 299.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]urea is sourced from PubChem (CID 84590782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).