4-phenyl-1,4-dihydro-1,3,5-triazine

C9H9N3 — CID 10678525

IUPAC4-phenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=NC(c2ccccc2)N=CN1
InChIInChI=1S/C9H9N3/c1-2-4-8(5-3-1)9-11-6-10-7-12-9/h1-7,9H,(H,10,11,12)
InChIKeyHNKGKLYVCXSLBO-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.35
Rot. Bonds1

About 4-phenyl-1,4-dihydro-1,3,5-triazine

4-phenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 10678525) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 4-phenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-phenyl-1,4-dihydro-1,3,5-triazine
PubChem CID10678525
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name4-phenyl-1,4-dihydro-1,3,5-triazine
SMILESC1=NC(c2ccccc2)N=CN1
InChIInChI=1S/C9H9N3/c1-2-4-8(5-3-1)9-11-6-10-7-12-9/h1-7,9H,(H,10,11,12)
InChIKeyHNKGKLYVCXSLBO-UHFFFAOYSA-N
XLogP1.35
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-1,4-dihydro-1,3,5-triazine 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-phenyl-3H-diazirine
CID 10855430
4-methyl-2-phenyl-2H-imidazole
CID 173295239
cyclohexyl(phenyl)iodanium
CID 87308360
3,6-diphenyl-3,4,5,6-tetrahydropyridazine
CID 14591674
3,5-diphenyl-4,5-dihydro-3H-pyrazole
CID 12616610
(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole
CID 12616611
benzene;cyclopropylbenzene
CID 144638417
4-phenyl-1,4,5,6-tetrahydropyrimidin-6-ol
CID 13432426
(4S)-5,5-dimethyl-4-phenyl-4,6-dihydro-1H-pyrimidine
CID 162350993
ethane;(2S)-2-phenylaziridine
CID 145185749
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
2,3-diphenylpiperazine;hydrochloride
CID 175072756

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-phenyl-1,4-dihydro-1,3,5-triazine (CID 10678525) is 4-phenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-phenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-phenyl-1,4-dihydro-1,3,5-triazine is C1=NC(c2ccccc2)N=CN1.
What is the InChIKey of 4-phenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is HNKGKLYVCXSLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-2-4-8(5-3-1)9-11-6-10-7-12-9/h1-7,9H,(H,10,11,12).
What are the key properties of 4-phenyl-1,4-dihydro-1,3,5-triazine?
4-phenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 159.19 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 10678525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).