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

Name: 1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₅N₅O — CID 51089450

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea

SMILESCCn1cnnc1CNC(=O)NC(c1ccccc1)C1CCCC1

InChIInChI=1S/C18H25N5O/c1-2-23-13-20-22-16(23)12-19-18(24)21-17(15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,13,15,17H,2,6-7,10-12H2,1H3,(H2,19,21,24)

InChIKeyCPVUTQOQXJTDDG-UHFFFAOYSA-N

MW327.43 g/mol

LogP3.03

Rot. Bonds6

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

1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea (PubChem CID 51089450) has the molecular formula C₁₈H₂₅N₅O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea.

Molecular Properties

Compound Name	1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID	51089450
Molecular Formula	C₁₈H₂₅N₅O
Molecular Weight	327.43 g/mol
Exact Mass	327.21
IUPAC Name	1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
SMILES	CCn1cnnc1CNC(=O)NC(c1ccccc1)C1CCCC1
InChI	InChI=1S/C18H25N5O/c1-2-23-13-20-22-16(23)12-19-18(24)21-17(15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,13,15,17H,2,6-7,10-12H2,1H3,(H2,19,21,24)
InChIKey	CPVUTQOQXJTDDG-UHFFFAOYSA-N
XLogP	3.03
TPSA	71.84 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?

The IUPAC name of 1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea (CID 51089450) is 1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea.

What is the SMILES notation for 1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?

The canonical SMILES for 1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea is CCn1cnnc1CNC(=O)NC(c1ccccc1)C1CCCC1.

What is the InChIKey of 1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?

The InChIKey is CPVUTQOQXJTDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-2-23-13-20-22-16(23)12-19-18(24)21-17(15-10-6-7-11-15)14-8-4-3-5-9-14/h3-5,8-9,13,15,17H,2,6-7,10-12H2,1H3,(H2,19,21,24).

What are the key properties of 1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea?

1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.03, 6 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-ethyl-1,2,4-triazol-3-yl)methyl]urea is sourced from PubChem (CID 51089450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 51089450 — identifiers, structure, computed properties (public domain)

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