5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene

C11H12N4 — CID 96620214

IUPAC5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
SMILESCc1ncn2c1CN(C)c1ncccc1-2
InChIInChI=1S/C11H12N4/c1-8-10-6-14(2)11-9(4-3-5-12-11)15(10)7-13-8/h3-5,7H,6H2,1-2H3
InChIKeyXKQFWFCSIDOBLG-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.53
Rot. Bonds

About 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene

5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene (PubChem CID 96620214) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene.

Molecular Properties

Compound Name5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
PubChem CID96620214
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
SMILESCc1ncn2c1CN(C)c1ncccc1-2
InChIInChI=1S/C11H12N4/c1-8-10-6-14(2)11-9(4-3-5-12-11)15(10)7-13-8/h3-5,7H,6H2,1-2H3
InChIKeyXKQFWFCSIDOBLG-UHFFFAOYSA-N
XLogP1.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The IUPAC name of 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene (CID 96620214) is 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene.
What is the SMILES notation for 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The canonical SMILES for 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene is Cc1ncn2c1CN(C)c1ncccc1-2.
What is the InChIKey of 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
The InChIKey is XKQFWFCSIDOBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-8-10-6-14(2)11-9(4-3-5-12-11)15(10)7-13-8/h3-5,7H,6H2,1-2H3.
What are the key properties of 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene?
5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene has a molecular weight of 200.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2,4,8,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene is sourced from PubChem (CID 96620214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).