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

C18H25N5O — CID 71857916

IUPAC1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea
SMILESCCCCCc1ccc(NC(=O)NCc2nncn2C2CC2)cc1
InChIInChI=1S/C18H25N5O/c1-2-3-4-5-14-6-8-15(9-7-14)21-18(24)19-12-17-22-20-13-23(17)16-10-11-16/h6-9,13,16H,2-5,10-12H2,1H3,(H2,19,21,24)
InChIKeyTXFYDRMRABDCST-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.67
Rot. Bonds8

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

1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea (PubChem CID 71857916) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea.

Molecular Properties

Compound Name1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea
PubChem CID71857916
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea
SMILESCCCCCc1ccc(NC(=O)NCc2nncn2C2CC2)cc1
InChIInChI=1S/C18H25N5O/c1-2-3-4-5-14-6-8-15(9-7-14)21-18(24)19-12-17-22-20-13-23(17)16-10-11-16/h6-9,13,16H,2-5,10-12H2,1H3,(H2,19,21,24)
InChIKeyTXFYDRMRABDCST-UHFFFAOYSA-N
XLogP3.67
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)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-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-ethoxy-3-methylphenyl)urea
CID 84586449
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(3-methyl-4-propan-2-yloxyphenyl)urea
CID 71857838
1-(4-heptylphenyl)-3-propylurea
CID 142021842
1-(1,3-benzothiazol-6-yl)-3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]urea
CID 72855930
1-(2-bromoethyl)-3-(4-heptylphenyl)urea
CID 86013146
1-(2-chloroethyl)-3-(4-decylphenyl)urea
CID 10382534
1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]hexan-2-amine
CID 115889963
1-(4-butylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38202852
1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-[(1R)-2,2,2-trifluoro-1-phenylethyl]urea
CID 99635131
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea?
The IUPAC name of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea (CID 71857916) is 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea.
What is the SMILES notation for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea?
The canonical SMILES for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea is CCCCCc1ccc(NC(=O)NCc2nncn2C2CC2)cc1.
What is the InChIKey of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea?
The InChIKey is TXFYDRMRABDCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-3-4-5-14-6-8-15(9-7-14)21-18(24)19-12-17-22-20-13-23(17)16-10-11-16/h6-9,13,16H,2-5,10-12H2,1H3,(H2,19,21,24).
What are the key properties of 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea?
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea has a molecular weight of 327.43 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-3-(4-pentylphenyl)urea is sourced from PubChem (CID 71857916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).