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

C18H25N5O — CID 51089450

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 Name1-[cyclopentyl(phenyl)methyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
PubChem CID51089450
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-[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
XLogP3.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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).