2-ethyl-4-phenyl-1,2,4-triazol-3-one

C10H11N3O — CID 155061620

IUPAC2-ethyl-4-phenyl-1,2,4-triazol-3-one
SMILESCCn1ncn(-c2ccccc2)c1=O
InChIInChI=1S/C10H11N3O/c1-2-13-10(14)12(8-11-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyLJGOBPXMCVVCBZ-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.05
Rot. Bonds2

About 2-ethyl-4-phenyl-1,2,4-triazol-3-one

2-ethyl-4-phenyl-1,2,4-triazol-3-one (PubChem CID 155061620) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-ethyl-4-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-ethyl-4-phenyl-1,2,4-triazol-3-one
PubChem CID155061620
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-ethyl-4-phenyl-1,2,4-triazol-3-one
SMILESCCn1ncn(-c2ccccc2)c1=O
InChIInChI=1S/C10H11N3O/c1-2-13-10(14)12(8-11-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyLJGOBPXMCVVCBZ-UHFFFAOYSA-N
XLogP1.05
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 2-ethyl-4-phenyl-1,2,4-triazol-3-one (CID 155061620) is 2-ethyl-4-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-ethyl-4-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-ethyl-4-phenyl-1,2,4-triazol-3-one is CCn1ncn(-c2ccccc2)c1=O.
What is the InChIKey of 2-ethyl-4-phenyl-1,2,4-triazol-3-one?
The InChIKey is LJGOBPXMCVVCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-13-10(14)12(8-11-13)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 2-ethyl-4-phenyl-1,2,4-triazol-3-one?
2-ethyl-4-phenyl-1,2,4-triazol-3-one has a molecular weight of 189.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 155061620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).