1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea

C17H23N5O — CID 51089449

IUPAC1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCn1cnnc1CNC(=O)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C17H23N5O/c1-22-12-19-21-15(22)11-18-17(23)20-16(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H2,18,20,23)
InChIKeyKOSVHUNKNAXWHZ-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.55
Rot. Bonds5

About 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea

1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 51089449) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID51089449
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea
SMILESCn1cnnc1CNC(=O)NC(c1ccccc1)C1CCCC1
InChIInChI=1S/C17H23N5O/c1-22-12-19-21-15(22)11-18-17(23)20-16(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H2,18,20,23)
InChIKeyKOSVHUNKNAXWHZ-UHFFFAOYSA-N
XLogP2.55
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-Ethylphenyl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 590730
N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]cyclopentanecarboxamide
CID 11988311
1-[(1R)-1-phenylethyl]-3-[N'-[3-(1H-1,2,4-triazol-5-yl)propyl]carbamimidoyl]urea;dihydrochloride
CID 168290234
N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]acetamide
CID 44564835
N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]-2-methyl-propanamide
CID 44564887
N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]-4-methyl-piperazine-1-carboxamide
CID 44565036
[(1R)-1-[(1-benzyl-1,2,4-triazole-3-carbonyl)amino]-3-methylbutyl]boronic acid
CID 155563323
1-(2-Methylcyclohexyl)-3-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]urea
CID 156009923
1-(2-Methylcyclohexyl)-3-[3-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)propyl]urea
CID 135368471
4-(4-methyl-4H-1,2,4-triazol-3-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45270771
1-[1-(4-Chlorophenyl)propan-2-yl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 45827921
N-[2-(2-methylphenyl)ethyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 45830150

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The IUPAC name of 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea (CID 51089449) is 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The canonical SMILES for 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea is Cn1cnnc1CNC(=O)NC(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
The InChIKey is KOSVHUNKNAXWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-22-12-19-21-15(22)11-18-17(23)20-16(14-9-5-6-10-14)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3,(H2,18,20,23).
What are the key properties of 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea?
1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 313.41 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopentyl(phenyl)methyl]-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 51089449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).