7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene

C15H11N5 — CID 132531037

IUPAC7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
SMILESCc1ccc(-c2nc3cccnc3c3nncn23)cc1
InChIInChI=1S/C15H11N5/c1-10-4-6-11(7-5-10)14-18-12-3-2-8-16-13(12)15-19-17-9-20(14)15/h2-9H,1H3
InChIKeyRIIMBNPAVKMHQH-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.65
Rot. Bonds1

About 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene

7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene (PubChem CID 132531037) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene.

Molecular Properties

Compound Name7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
PubChem CID132531037
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
SMILESCc1ccc(-c2nc3cccnc3c3nncn23)cc1
InChIInChI=1S/C15H11N5/c1-10-4-6-11(7-5-10)14-18-12-3-2-8-16-13(12)15-19-17-9-20(14)15/h2-9H,1H3
InChIKeyRIIMBNPAVKMHQH-UHFFFAOYSA-N
XLogP2.65
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene 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

8-chloro-7-methyl-5-pyridin-4-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 23824796
7-chloro-4-(4-fluorophenyl)-3,5,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene
CID 162722964
[4-[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]urea
CID 58317775
3,7,9,14-tetrazatricyclo[8.4.0.02,7]tetradeca-1,3,5,9,11,13-hexaen-8-one
CID 156697082
6-chloro-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
CID 152676816
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
N-[2-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethyl]ethanesulfonamide
CID 46286417
6-(4-propan-2-yl-1,2,4-triazol-3-yl)quinoline
CID 115393947
2-methyl-3-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 71059779
11-ethyl-7-phenyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 50946465
ethane;1-methyl-5-(4-methylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 162440075
tetrakis[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]silane
CID 58803425

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene?
The IUPAC name of 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene (CID 132531037) is 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene.
What is the SMILES notation for 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene?
The canonical SMILES for 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene is Cc1ccc(-c2nc3cccnc3c3nncn23)cc1.
What is the InChIKey of 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene?
The InChIKey is RIIMBNPAVKMHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c1-10-4-6-11(7-5-10)14-18-12-3-2-8-16-13(12)15-19-17-9-20(14)15/h2-9H,1H3.
What are the key properties of 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene?
7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene has a molecular weight of 261.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylphenyl)-3,4,6,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene is sourced from PubChem (CID 132531037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).