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

C10H12N4O — CID 10822056

IUPAC4-anilino-2,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(C)c(=O)n1Nc1ccccc1
InChIInChI=1S/C10H12N4O/c1-8-11-13(2)10(15)14(8)12-9-6-4-3-5-7-9/h3-7,12H,1-2H3
InChIKeyOGVRWFLAAJLUNT-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.77
Rot. Bonds2

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

4-anilino-2,5-dimethyl-1,2,4-triazol-3-one (PubChem CID 10822056) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-anilino-2,5-dimethyl-1,2,4-triazol-3-one
PubChem CID10822056
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name4-anilino-2,5-dimethyl-1,2,4-triazol-3-one
SMILESCc1nn(C)c(=O)n1Nc1ccccc1
InChIInChI=1S/C10H12N4O/c1-8-11-13(2)10(15)14(8)12-9-6-4-3-5-7-9/h3-7,12H,1-2H3
InChIKeyOGVRWFLAAJLUNT-UHFFFAOYSA-N
XLogP0.77
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one?
The IUPAC name of 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one (CID 10822056) is 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one.
What is the SMILES notation for 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one?
The canonical SMILES for 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one is Cc1nn(C)c(=O)n1Nc1ccccc1.
What is the InChIKey of 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one?
The InChIKey is OGVRWFLAAJLUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-8-11-13(2)10(15)14(8)12-9-6-4-3-5-7-9/h3-7,12H,1-2H3.
What are the key properties of 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one?
4-anilino-2,5-dimethyl-1,2,4-triazol-3-one has a molecular weight of 204.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2,5-dimethyl-1,2,4-triazol-3-one is sourced from PubChem (CID 10822056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).