5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C14H12N6 — CID 663772

IUPAC5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCCc1nnc2c3cnn(-c4ccccc4)c3ncn12
InChIInChI=1S/C14H12N6/c1-2-12-17-18-14-11-8-16-20(10-6-4-3-5-7-10)13(11)15-9-19(12)14/h3-9H,2H2,1H3
InChIKeyXONRNCRBGDQGQO-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.03
Rot. Bonds2

About 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 663772) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID663772
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCCc1nnc2c3cnn(-c4ccccc4)c3ncn12
InChIInChI=1S/C14H12N6/c1-2-12-17-18-14-11-8-16-20(10-6-4-3-5-7-10)13(11)15-9-19(12)14/h3-9H,2H2,1H3
InChIKeyXONRNCRBGDQGQO-UHFFFAOYSA-N
XLogP2.03
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 663772) is 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is CCc1nnc2c3cnn(-c4ccccc4)c3ncn12.
What is the InChIKey of 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is XONRNCRBGDQGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-2-12-17-18-14-11-8-16-20(10-6-4-3-5-7-10)13(11)15-9-19(12)14/h3-9H,2H2,1H3.
What are the key properties of 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 264.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 663772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).