5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine

C16H17N5 — CID 71236552

IUPAC5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(C2(N)N=C(N)NN=C2c2ccccc2)cc1
InChIInChI=1S/C16H17N5/c1-11-7-9-13(10-8-11)16(18)14(20-21-15(17)19-16)12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H3,17,19,21)
InChIKeyFSOANZWRQKHYSF-UHFFFAOYSA-N
MW279.35 g/mol
LogP1.43
Rot. Bonds2

About 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine

5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine (PubChem CID 71236552) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine.

Molecular Properties

Compound Name5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine
PubChem CID71236552
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine
SMILESCc1ccc(C2(N)N=C(N)NN=C2c2ccccc2)cc1
InChIInChI=1S/C16H17N5/c1-11-7-9-13(10-8-11)16(18)14(20-21-15(17)19-16)12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H3,17,19,21)
InChIKeyFSOANZWRQKHYSF-UHFFFAOYSA-N
XLogP1.43
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine 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

4-amino-3,4-diphenyl-1H-pyrazol-5-one
CID 13014951
5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine
CID 102265993
3-(4-methylphenyl)-2-phenylazirine-2-carboxamide
CID 101078186
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
6-hydrazinyl-3,4-bis(4-methylphenyl)-1H-pyridazin-4-ol
CID 102441033
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
3-(4-methylphenyl)-3,6-diphenyl-2,4-dihydro-1H-1,2,4,5-tetrazine
CID 174935585
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
2,2-dimethyl-5-(4-methylphenyl)-3-phenylpyrrole
CID 14342939

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine?
The IUPAC name of 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine (CID 71236552) is 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine.
What is the SMILES notation for 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine?
The canonical SMILES for 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine is Cc1ccc(C2(N)N=C(N)NN=C2c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine?
The InChIKey is FSOANZWRQKHYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-7-9-13(10-8-11)16(18)14(20-21-15(17)19-16)12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H3,17,19,21).
What are the key properties of 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine?
5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine has a molecular weight of 279.35 g/mol, XLogP of 1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-6-phenyl-2H-1,2,4-triazine-3,5-diamine is sourced from PubChem (CID 71236552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).