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

C11H19N3O — CID 126953781

IUPAC5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one
SMILESCC(C)Cn1c(C2CCC2)nn(C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)7-14-10(9-5-4-6-9)12-13(3)11(14)15/h8-9H,4-7H2,1-3H3
InChIKeyPIGDXMWBAFMZEO-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.51
Rot. Bonds3

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

5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one (PubChem CID 126953781) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one
PubChem CID126953781
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one
SMILESCC(C)Cn1c(C2CCC2)nn(C)c1=O
InChIInChI=1S/C11H19N3O/c1-8(2)7-14-10(9-5-4-6-9)12-13(3)11(14)15/h8-9H,4-7H2,1-3H3
InChIKeyPIGDXMWBAFMZEO-UHFFFAOYSA-N
XLogP1.51
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.51
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
1-(cyclobutylmethyl)-3-(fluoromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953637
4-tert-butyl-3-cyclobutyl-1-(2,2-difluoroethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953766
2-Methyl-4,5-di(propan-2-yl)-1,2,4-triazol-3-one
CID 22091019
5-Butyl-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 22091022
5-Cyclopropyl-2-methyl-4-propyl-1,2,4-triazol-3-one
CID 22091023
4-(Cyclopropylmethyl)-5-ethyl-2-methyl-1,2,4-triazol-3-one
CID 22973887
5-Butyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
CID 89041769
4-Ethyl-2-methyl-5-propyl-1,2,4-triazol-3-one
CID 123832689
5-Butan-2-yl-2,4-dimethyl-1,2,4-triazol-3-one
CID 147265829
4-(Cyclopropylmethyl)-2-methyl-5-propyl-1,2,4-triazol-3-one
CID 147441327

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one (CID 126953781) is 5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one is CC(C)Cn1c(C2CCC2)nn(C)c1=O.
What is the InChIKey of 5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one?
The InChIKey is PIGDXMWBAFMZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)7-14-10(9-5-4-6-9)12-13(3)11(14)15/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one?
5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-methyl-4-(2-methylpropyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 126953781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).