3-phenylpyrido[2,3-h][1,2,4]benzotriazine

C16H10N4 — CID 10988953

IUPAC3-phenylpyrido[2,3-h][1,2,4]benzotriazine
SMILESc1ccc(-c2nnc3c(ccc4ncccc43)n2)cc1
InChIInChI=1S/C16H10N4/c1-2-5-11(6-3-1)16-18-14-9-8-13-12(7-4-10-17-13)15(14)19-20-16/h1-10H
InChIKeyWBVINXSSVQNRNT-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.24
Rot. Bonds1

About 3-phenylpyrido[2,3-h][1,2,4]benzotriazine

3-phenylpyrido[2,3-h][1,2,4]benzotriazine (PubChem CID 10988953) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-phenylpyrido[2,3-h][1,2,4]benzotriazine.

Molecular Properties

Compound Name3-phenylpyrido[2,3-h][1,2,4]benzotriazine
PubChem CID10988953
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name3-phenylpyrido[2,3-h][1,2,4]benzotriazine
SMILESc1ccc(-c2nnc3c(ccc4ncccc43)n2)cc1
InChIInChI=1S/C16H10N4/c1-2-5-11(6-3-1)16-18-14-9-8-13-12(7-4-10-17-13)15(14)19-20-16/h1-10H
InChIKeyWBVINXSSVQNRNT-UHFFFAOYSA-N
XLogP3.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-phenylpyrido[2,3-h][1,2,4]benzotriazine 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

2,3-diphenyl-1,7-phenanthroline;terbium
CID 174908963
pyrido[2,3-i][1,2]benzodiazepin-3-one
CID 67724117
1,7-phenanthroline;dihydrochloride
CID 174688507
1,7-phenanthroline;vanadium
CID 174318955
2-chloropyrido[3,2-f]quinoxaline
CID 129033345
5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene
CID 158148392
3-phenyl-1,7-phenanthroline-2-carboxylic acid
CID 69046616
methanol;1,7-phenanthroline
CID 174496893
2-phenylpyrimidine
CID 593578
5-[3-[4,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-1,3,5-triazin-2-yl]-5-pyrido[2,3-g]quinolin-5-ylphenyl]pyrido[2,3-g]quinoline
CID 148686627
[1,2,4]triazino[5,6-c]quinolin-3-amine
CID 6410405
benzo[f]quinoline;iodomethane
CID 21121996

Frequently Asked Questions

What is the IUPAC name of 3-phenylpyrido[2,3-h][1,2,4]benzotriazine?
The IUPAC name of 3-phenylpyrido[2,3-h][1,2,4]benzotriazine (CID 10988953) is 3-phenylpyrido[2,3-h][1,2,4]benzotriazine.
What is the SMILES notation for 3-phenylpyrido[2,3-h][1,2,4]benzotriazine?
The canonical SMILES for 3-phenylpyrido[2,3-h][1,2,4]benzotriazine is c1ccc(-c2nnc3c(ccc4ncccc43)n2)cc1.
What is the InChIKey of 3-phenylpyrido[2,3-h][1,2,4]benzotriazine?
The InChIKey is WBVINXSSVQNRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c1-2-5-11(6-3-1)16-18-14-9-8-13-12(7-4-10-17-13)15(14)19-20-16/h1-10H.
What are the key properties of 3-phenylpyrido[2,3-h][1,2,4]benzotriazine?
3-phenylpyrido[2,3-h][1,2,4]benzotriazine has a molecular weight of 258.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrido[2,3-h][1,2,4]benzotriazine is sourced from PubChem (CID 10988953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).