5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one

C10H17N3O — CID 126953768

IUPAC5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCC2)nn(C)c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(8-5-4-6-8)11-12(3)10(13)14/h7-8H,4-6H2,1-3H3
InChIKeyZFZXNMMKDVJZPL-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.43
Rot. Bonds2

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

5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 126953768) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID126953768
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)n1c(C2CCC2)nn(C)c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)13-9(8-5-4-6-8)11-12(3)10(13)14/h7-8H,4-6H2,1-3H3
InChIKeyZFZXNMMKDVJZPL-UHFFFAOYSA-N
XLogP1.43
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one (CID 126953768) is 5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one is CC(C)n1c(C2CCC2)nn(C)c1=O.
What is the InChIKey of 5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is ZFZXNMMKDVJZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-9(8-5-4-6-8)11-12(3)10(13)14/h7-8H,4-6H2,1-3H3.
What are the key properties of 5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
5-cyclobutyl-2-methyl-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.43, 2 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-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).