4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one

C10H17N3O2 — CID 50951668

IUPAC4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCCO)n1C1CCCC1
InChIInChI=1S/C10H17N3O2/c14-7-3-6-9-11-12-10(15)13(9)8-4-1-2-5-8/h8,14H,1-7H2,(H,12,15)
InChIKeyRJLMAZPOZINSQD-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.61
Rot. Bonds4

About 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one

4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one (PubChem CID 50951668) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
PubChem CID50951668
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(CCCO)n1C1CCCC1
InChIInChI=1S/C10H17N3O2/c14-7-3-6-9-11-12-10(15)13(9)8-4-1-2-5-8/h8,14H,1-7H2,(H,12,15)
InChIKeyRJLMAZPOZINSQD-UHFFFAOYSA-N
XLogP0.61
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one (CID 50951668) is 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one is O=c1[nH]nc(CCCO)n1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
The InChIKey is RJLMAZPOZINSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c14-7-3-6-9-11-12-10(15)13(9)8-4-1-2-5-8/h8,14H,1-7H2,(H,12,15).
What are the key properties of 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one?
4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one has a molecular weight of 211.26 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3-(3-hydroxypropyl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50951668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).