4-cyclopentyl-1H-1,2,4-triazol-5-one

C7H11N3O — CID 123487892

IUPAC4-cyclopentyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1C1CCCC1
InChIInChI=1S/C7H11N3O/c11-7-9-8-5-10(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,9,11)
InChIKeyZJFYGIBBPDTLIG-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.69
Rot. Bonds1

About 4-cyclopentyl-1H-1,2,4-triazol-5-one

4-cyclopentyl-1H-1,2,4-triazol-5-one (PubChem CID 123487892) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-cyclopentyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopentyl-1H-1,2,4-triazol-5-one
PubChem CID123487892
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-cyclopentyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]ncn1C1CCCC1
InChIInChI=1S/C7H11N3O/c11-7-9-8-5-10(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,9,11)
InChIKeyZJFYGIBBPDTLIG-UHFFFAOYSA-N
XLogP0.69
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyclopentyl-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

Related Compounds

4-cyclopentyl-3-methyl-1H-1,2,4-triazol-5-one
CID 386151
4-Isopropyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 23570752
4-pentyl-1H-1,2,4-triazol-5-one
CID 69582029
4-butyl-1H-1,2,4-triazol-5-one
CID 139771229
4-butan-2-yl-1H-1,2,4-triazol-5-one
CID 140400399
4-cyclobutyl-1H-1,2,4-triazol-5-one
CID 156527938
4-(1-aminopentan-3-yl)-1H-1,2,4-triazol-5-one
CID 107410198
4-(5-aminopentyl)-1H-1,2,4-triazol-5-one
CID 107410202
4-(2-aminocyclopentyl)-1H-1,2,4-triazol-5-one
CID 107410862
4-(1-aminopentan-2-yl)-1H-1,2,4-triazol-5-one
CID 107410882
4-Cyclopentyl-2-methyl-1,2,4-triazol-3-one
CID 130614885

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopentyl-1H-1,2,4-triazol-5-one (CID 123487892) is 4-cyclopentyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopentyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopentyl-1H-1,2,4-triazol-5-one is O=c1[nH]ncn1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-1H-1,2,4-triazol-5-one?
The InChIKey is ZJFYGIBBPDTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-7-9-8-5-10(7)6-3-1-2-4-6/h5-6H,1-4H2,(H,9,11).
What are the key properties of 4-cyclopentyl-1H-1,2,4-triazol-5-one?
4-cyclopentyl-1H-1,2,4-triazol-5-one has a molecular weight of 153.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 123487892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).