1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea

C14H23N5O2 — CID 91761533

IUPAC1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea
SMILESCn1c(CO)nnc1C1CC(NC(=O)NC2CCCC2)C1
InChIInChI=1S/C14H23N5O2/c1-19-12(8-20)17-18-13(19)9-6-11(7-9)16-14(21)15-10-4-2-3-5-10/h9-11,20H,2-8H2,1H3,(H2,15,16,21)
InChIKeyZUNSFFOLFSTONW-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.80
Rot. Bonds4

About 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea

1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea (PubChem CID 91761533) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea
PubChem CID91761533
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea
SMILESCn1c(CO)nnc1C1CC(NC(=O)NC2CCCC2)C1
InChIInChI=1S/C14H23N5O2/c1-19-12(8-20)17-18-13(19)9-6-11(7-9)16-14(21)15-10-4-2-3-5-10/h9-11,20H,2-8H2,1H3,(H2,15,16,21)
InChIKeyZUNSFFOLFSTONW-UHFFFAOYSA-N
XLogP0.80
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea?
The IUPAC name of 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea (CID 91761533) is 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea is Cn1c(CO)nnc1C1CC(NC(=O)NC2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea?
The InChIKey is ZUNSFFOLFSTONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-19-12(8-20)17-18-13(19)9-6-11(7-9)16-14(21)15-10-4-2-3-5-10/h9-11,20H,2-8H2,1H3,(H2,15,16,21).
What are the key properties of 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea?
1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea has a molecular weight of 293.37 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]urea is sourced from PubChem (CID 91761533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).