5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one

C10H17N3O — CID 126953785

IUPAC5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCCCC2)n(C)c1=O
InChIInChI=1S/C10H17N3O/c1-12-9(11-13(2)10(12)14)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyXUTUIKPOQLOIHH-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.17
Rot. Bonds1

About 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one

5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one (PubChem CID 126953785) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one
PubChem CID126953785
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one
SMILESCn1nc(C2CCCCC2)n(C)c1=O
InChIInChI=1S/C10H17N3O/c1-12-9(11-13(2)10(12)14)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyXUTUIKPOQLOIHH-UHFFFAOYSA-N
XLogP1.17
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one (CID 126953785) is 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one is Cn1nc(C2CCCCC2)n(C)c1=O.
What is the InChIKey of 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one?
The InChIKey is XUTUIKPOQLOIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-12-9(11-13(2)10(12)14)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one?
5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2,4-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).