3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one

C7H11N3O — CID 126953775

IUPAC3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(C2CCC2)n[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-10-6(5-3-2-4-5)8-9-7(10)11/h5H,2-4H2,1H3,(H,9,11)
InChIKeyQYJZKNUVSIGSMG-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.38
Rot. Bonds1

About 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one

3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one (PubChem CID 126953775) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one
PubChem CID126953775
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one
SMILESCn1c(C2CCC2)n[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-10-6(5-3-2-4-5)8-9-7(10)11/h5H,2-4H2,1H3,(H,9,11)
InChIKeyQYJZKNUVSIGSMG-UHFFFAOYSA-N
XLogP0.38
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one (CID 126953775) is 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one is Cn1c(C2CCC2)n[nH]c1=O.
What is the InChIKey of 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one?
The InChIKey is QYJZKNUVSIGSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-6(5-3-2-4-5)8-9-7(10)11/h5H,2-4H2,1H3,(H,9,11).
What are the key properties of 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one?
3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one has a molecular weight of 153.19 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 126953775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).