2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one

C10H17N3O — CID 126953686

IUPAC2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(CC2CCCC2)c(=O)n1C
InChIInChI=1S/C10H17N3O/c1-8-11-13(10(14)12(8)2)7-9-5-3-4-6-9/h9H,3-7H2,1-2H3
InChIKeyQDZJABMVJKNJIK-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.08
Rot. Bonds2

About 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one

2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one (PubChem CID 126953686) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one
PubChem CID126953686
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(CC2CCCC2)c(=O)n1C
InChIInChI=1S/C10H17N3O/c1-8-11-13(10(14)12(8)2)7-9-5-3-4-6-9/h9H,3-7H2,1-2H3
InChIKeyQDZJABMVJKNJIK-UHFFFAOYSA-N
XLogP1.08
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-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

3-cyclopentyl-1-methyl-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953787
3-cyclopentyl-1-(2,2-difluoroethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953791
4-tert-butyl-1-(cyclopentylmethyl)-3-(fluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953623
1-(cyclopentylmethyl)-3-(fluoromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953638
3-cyclopentyl-4-methyl-1H-1,2,4-triazol-5-one
CID 129980767
2-Heptyl-4,5-dimethyl-1,2,4-triazol-3-one
CID 132137406
5-(cyclopentylmethyl)-2-ethyl-4H-1,2,4-triazol-3-one
CID 171482331
2-(2-Ethylhexyl)-4-methyl-1,2,4-triazol-3-one
CID 104626133
2-(Cyclopentylmethyl)-4-methyl-1,2,4-triazol-3-one
CID 115774444
1-(cyclobutylmethyl)-3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953684
3-cyclohexyl-1-(cyclopropylmethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953784
3-cyclohexyl-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953785

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one (CID 126953686) is 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one is Cc1nn(CC2CCCC2)c(=O)n1C.
What is the InChIKey of 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one?
The InChIKey is QDZJABMVJKNJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-11-13(10(14)12(8)2)7-9-5-3-4-6-9/h9H,3-7H2,1-2H3.
What are the key properties of 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one?
2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-4,5-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).