3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one

C10H17N3O — CID 126953786

IUPAC3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)n1c(C2CCCC2)n[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(11-12-10(13)14)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyXNGLEXCOAKURSO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.81
Rot. Bonds2

About 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one

3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one (PubChem CID 126953786) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
PubChem CID126953786
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
SMILESCC(C)n1c(C2CCCC2)n[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(11-12-10(13)14)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,12,14)
InChIKeyXNGLEXCOAKURSO-UHFFFAOYSA-N
XLogP1.81
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-3-methyl-1H-1,2,4-triazol-5-one
CID 386151
4-cyclopentyl-3-[(1S)-2,2-dimethylcyclopropyl]-1H-1,2,4-triazol-5-one
CID 95126083
3-cyclopentyl-1-methyl-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953787
4-[(1S)-1-cyclohexylethyl]-5-cyclopropyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50962934
4-cyclohexyl-5-(1-methylpiperidin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50976975
3-cyclopentyl-4-cyclopropyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 117764436
3-cyclopentyl-4-methyl-1H-1,2,4-triazol-5-one
CID 129980767
4-butan-2-yl-3-propan-2-yl-1H-1,2,4-triazol-5-one
CID 139501855
5-Cyclopentyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
CID 170345731
5-Cyclohexyl-2,5,6,7-tetrahydropyrrolo[2,1-c][1,2,4]triazol-3-one
CID 170345779
4-cyclopentyl-5-(2,2-dimethylcyclopropyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50961403
5-cyclobutyl-4-pentyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50967042

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one (CID 126953786) is 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one is CC(C)n1c(C2CCCC2)n[nH]c1=O.
What is the InChIKey of 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
The InChIKey is XNGLEXCOAKURSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-9(11-12-10(13)14)8-5-3-4-6-8/h7-8H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one?
3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one has a molecular weight of 195.27 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-propan-2-yl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 126953786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).