7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one

C17H15N5O — CID 11850145

IUPAC7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
SMILESCc1nn(C)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12
InChIInChI=1S/C17H15N5O/c1-10-15-14-9-13(12-7-5-4-6-8-12)20-22(14)11(2)18-16(15)17(23)21(3)19-10/h4-9H,1-3H3
InChIKeyOGJPWJTVAFMNRC-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.26
Rot. Bonds1

About 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one

7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one (PubChem CID 11850145) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one.

Molecular Properties

Compound Name7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
PubChem CID11850145
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
SMILESCc1nn(C)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12
InChIInChI=1S/C17H15N5O/c1-10-15-14-9-13(12-7-5-4-6-8-12)20-22(14)11(2)18-16(15)17(23)21(3)19-10/h4-9H,1-3H3
InChIKeyOGJPWJTVAFMNRC-UHFFFAOYSA-N
XLogP2.26
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The IUPAC name of 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one (CID 11850145) is 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one.
What is the SMILES notation for 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The canonical SMILES for 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one is Cc1nn(C)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12.
What is the InChIKey of 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
The InChIKey is OGJPWJTVAFMNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-10-15-14-9-13(12-7-5-4-6-8-12)20-22(14)11(2)18-16(15)17(23)21(3)19-10/h4-9H,1-3H3.
What are the key properties of 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one?
7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one has a molecular weight of 305.34 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,13-trimethyl-4-phenyl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one is sourced from PubChem (CID 11850145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).