2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one

C11H19N3O — CID 166265705

IUPAC2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C)nn(CCC2CCC2)c1=O
InChIInChI=1S/C11H19N3O/c1-3-13-9(2)12-14(11(13)15)8-7-10-5-4-6-10/h10H,3-8H2,1-2H3
InChIKeyQXAUMOLKNBFFFI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.56
Rot. Bonds4

About 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one

2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one (PubChem CID 166265705) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one
PubChem CID166265705
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one
SMILESCCn1c(C)nn(CCC2CCC2)c1=O
InChIInChI=1S/C11H19N3O/c1-3-13-9(2)12-14(11(13)15)8-7-10-5-4-6-10/h10H,3-8H2,1-2H3
InChIKeyQXAUMOLKNBFFFI-UHFFFAOYSA-N
XLogP1.56
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-1-methyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953782
3-cyclopentyl-1-methyl-4-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953787
4-tert-butyl-1-(cyclopentylmethyl)-3-(fluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953623
1-(cyclobutylmethyl)-3-(fluoromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953637
1-(cyclopentylmethyl)-3-(fluoromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953638
4-tert-butyl-3-cyclobutyl-1-(2,2-difluoroethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953766
5-cyclobutyl-4-pentyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50967042
1-(cyclobutylmethyl)-4-cyclopropyl-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953675
1-(cyclobutylmethyl)-3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953684
1-(cyclopentylmethyl)-3,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953686
1-(cyclobutylmethyl)-3-cyclopropyl-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953733
4-tert-butyl-3-cyclobutyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953767

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one (CID 166265705) is 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one is CCn1c(C)nn(CCC2CCC2)c1=O.
What is the InChIKey of 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one?
The InChIKey is QXAUMOLKNBFFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-13-9(2)12-14(11(13)15)8-7-10-5-4-6-10/h10H,3-8H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one?
2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethyl)-4-ethyl-5-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 166265705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).