10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile

C16H11N7 — CID 73349268

IUPAC10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile
SMILES[H]/N=c1\c(C#N)cnc2c3c(C)nn(-c4ccccc4)c3ncn12
InChIInChI=1S/C16H11N7/c1-10-13-15-19-8-11(7-17)14(18)22(15)9-20-16(13)23(21-10)12-5-3-2-4-6-12/h2-6,8-9,18H,1H3/b18-14+
InChIKeyGKDVTMRWBOFDGS-NBVRZTHBSA-N
MW301.31 g/mol
LogP1.73
Rot. Bonds1

About 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile

10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile (PubChem CID 73349268) has the molecular formula C16H11N7 and a molecular weight of 301.31 g/mol. Its IUPAC name is 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile.

Molecular Properties

Compound Name10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile
PubChem CID73349268
Molecular FormulaC16H11N7
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile
SMILES[H]/N=c1\c(C#N)cnc2c3c(C)nn(-c4ccccc4)c3ncn12
InChIInChI=1S/C16H11N7/c1-10-13-15-19-8-11(7-17)14(18)22(15)9-20-16(13)23(21-10)12-5-3-2-4-6-12/h2-6,8-9,18H,1H3/b18-14+
InChIKeyGKDVTMRWBOFDGS-NBVRZTHBSA-N
XLogP1.73
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile?
The IUPAC name of 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile (CID 73349268) is 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile.
What is the SMILES notation for 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile?
The canonical SMILES for 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile is [H]/N=c1\c(C#N)cnc2c3c(C)nn(-c4ccccc4)c3ncn12.
What is the InChIKey of 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile?
The InChIKey is GKDVTMRWBOFDGS-NBVRZTHBSA-N. The full InChI is InChI=1S/C16H11N7/c1-10-13-15-19-8-11(7-17)14(18)22(15)9-20-16(13)23(21-10)12-5-3-2-4-6-12/h2-6,8-9,18H,1H3/b18-14+.
What are the key properties of 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile?
10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile has a molecular weight of 301.31 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-imino-3-methyl-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carbonitrile is sourced from PubChem (CID 73349268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).