13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene

C14H17N3 — CID 11042465

IUPAC13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene
SMILESCc1cc2c(cc1C)-n1cnnc1CCCC2
InChIInChI=1S/C14H17N3/c1-10-7-12-5-3-4-6-14-16-15-9-17(14)13(12)8-11(10)2/h7-9H,3-6H2,1-2H3
InChIKeyKBIIKEGDBMMYTR-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.76
Rot. Bonds

About 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene

13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene (PubChem CID 11042465) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene.

Molecular Properties

Compound Name13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene
PubChem CID11042465
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene
SMILESCc1cc2c(cc1C)-n1cnnc1CCCC2
InChIInChI=1S/C14H17N3/c1-10-7-12-5-3-4-6-14-16-15-9-17(14)13(12)8-11(10)2/h7-9H,3-6H2,1-2H3
InChIKeyKBIIKEGDBMMYTR-UHFFFAOYSA-N
XLogP2.76
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene 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 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene?
The IUPAC name of 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene (CID 11042465) is 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene.
What is the SMILES notation for 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene?
The canonical SMILES for 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene is Cc1cc2c(cc1C)-n1cnnc1CCCC2.
What is the InChIKey of 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene?
The InChIKey is KBIIKEGDBMMYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-7-12-5-3-4-6-14-16-15-9-17(14)13(12)8-11(10)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene?
13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene has a molecular weight of 227.31 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13,14-dimethyl-2,4,5-triazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene is sourced from PubChem (CID 11042465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).