3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one

C15H13N5O — CID 135455166

IUPAC3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(Nc2ccc(Nc3ccccc3)cc2)[nH]1
InChIInChI=1S/C15H13N5O/c21-14-10-16-20-15(19-14)18-13-8-6-12(7-9-13)17-11-4-2-1-3-5-11/h1-10,17H,(H2,18,19,20,21)
InChIKeyIAQIAHDWJKVVMF-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.65
Rot. Bonds4

About 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one

3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one (PubChem CID 135455166) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one
PubChem CID135455166
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one
SMILESO=c1cnnc(Nc2ccc(Nc3ccccc3)cc2)[nH]1
InChIInChI=1S/C15H13N5O/c21-14-10-16-20-15(19-14)18-13-8-6-12(7-9-13)17-11-4-2-1-3-5-11/h1-10,17H,(H2,18,19,20,21)
InChIKeyIAQIAHDWJKVVMF-UHFFFAOYSA-N
XLogP2.65
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(Phenylamino)-1,2,4-triazin-5-ol
CID 135439726
3-((2-fluorophenyl)amino)-1,2,4-triazin-5(4H)-one
CID 135439673
3-((3-fluorophenyl)amino)-1,2,4-triazin-5(4H)-one
CID 135433260
3-[(4-fluorophenyl)amino]-1,2,4-triazin-5(4H)-one
CID 135433267
3-{[4-(Dimethylamino)phenyl]amino}-1,2,4-triazin-5-ol
CID 135652640
4,6-Bis(phenylamino)-1,3,5-triazin-2-ol
CID 135450736
N-(4-((4,6-Dihydroxy-1,3,5-triazin-2-yl)amino)phenyl)acetamide
CID 389522
2-anilino-1-phenyl-4H-imidazol-5-one
CID 1454513
3-(4-anilinoanilino)-6-tert-butyl-4H-1,2,4-triazin-5-one
CID 135413084
6-methyl-3-[(4-piperidylphenyl)amino]-4H-1,2,4-triazin-5-one
CID 135454579
N-{4-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)amino]phenyl}acetamide
CID 135515377
4-Amino-5-oxo-3-phenylamino-1,2,4-triazine
CID 24320767

Frequently Asked Questions

What is the IUPAC name of 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one (CID 135455166) is 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one is O=c1cnnc(Nc2ccc(Nc3ccccc3)cc2)[nH]1.
What is the InChIKey of 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one?
The InChIKey is IAQIAHDWJKVVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c21-14-10-16-20-15(19-14)18-13-8-6-12(7-9-13)17-11-4-2-1-3-5-11/h1-10,17H,(H2,18,19,20,21).
What are the key properties of 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one?
3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one has a molecular weight of 279.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-anilinoanilino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135455166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).