5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one

C12H21N3O — CID 126953793

IUPAC5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one
SMILESCC(C)Cn1c(C2CCCC2)nn(C)c1=O
InChIInChI=1S/C12H21N3O/c1-9(2)8-15-11(10-6-4-5-7-10)13-14(3)12(15)16/h9-10H,4-8H2,1-3H3
InChIKeyRWJOIEVOWRTZBM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.90
Rot. Bonds3

About 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one

5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one (PubChem CID 126953793) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one
PubChem CID126953793
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one
SMILESCC(C)Cn1c(C2CCCC2)nn(C)c1=O
InChIInChI=1S/C12H21N3O/c1-9(2)8-15-11(10-6-4-5-7-10)13-14(3)12(15)16/h9-10H,4-8H2,1-3H3
InChIKeyRWJOIEVOWRTZBM-UHFFFAOYSA-N
XLogP1.90
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-methyl-4-(prop-2-en-1-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953789
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
5-Butyl-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 22091022
3-cyclopentyl-4-methyl-1H-1,2,4-triazol-5-one
CID 129980767
2,6-Dimethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 178927070
5-[1-(3-cyclopentylpropyl)piperidin-4-yl]-4-ethyl-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56711131
1-(cyclopentylmethyl)-3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953686
4-cyclopentyl-3-cyclopropyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953720
3-cyclobutyl-1-methyl-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953768

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one (CID 126953793) is 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one is CC(C)Cn1c(C2CCCC2)nn(C)c1=O.
What is the InChIKey of 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one?
The InChIKey is RWJOIEVOWRTZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)8-15-11(10-6-4-5-7-10)13-14(3)12(15)16/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one?
5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 126953793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).