4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one

C11H14N4O — CID 10822691

IUPAC4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one
SMILESCCn1nc(C)n(Nc2ccccc2)c1=O
InChIInChI=1S/C11H14N4O/c1-3-14-11(16)15(9(2)12-14)13-10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3
InChIKeyKZVYTHZIBYYRRO-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.25
Rot. Bonds3

About 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one

4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one (PubChem CID 10822691) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one
PubChem CID10822691
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one
SMILESCCn1nc(C)n(Nc2ccccc2)c1=O
InChIInChI=1S/C11H14N4O/c1-3-14-11(16)15(9(2)12-14)13-10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3
InChIKeyKZVYTHZIBYYRRO-UHFFFAOYSA-N
XLogP1.25
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one?
The IUPAC name of 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one (CID 10822691) is 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one is CCn1nc(C)n(Nc2ccccc2)c1=O.
What is the InChIKey of 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one?
The InChIKey is KZVYTHZIBYYRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-14-11(16)15(9(2)12-14)13-10-7-5-4-6-8-10/h4-8,13H,3H2,1-2H3.
What are the key properties of 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one?
4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one has a molecular weight of 218.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-ethyl-5-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 10822691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).