5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

C9H10N6 — CID 12581793

IUPAC5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESCc1cc2nnc(C)n2c2nnc(C)n12
InChIInChI=1S/C9H10N6/c1-5-4-8-12-10-7(3)15(8)9-13-11-6(2)14(5)9/h4H,1-3H3
InChIKeyUKDOMONKXPLQHY-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.70
Rot. Bonds

About 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene

5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (PubChem CID 12581793) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.

Molecular Properties

Compound Name5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
PubChem CID12581793
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESCc1cc2nnc(C)n2c2nnc(C)n12
InChIInChI=1S/C9H10N6/c1-5-4-8-12-10-7(3)15(8)9-13-11-6(2)14(5)9/h4H,1-3H3
InChIKeyUKDOMONKXPLQHY-UHFFFAOYSA-N
XLogP0.70
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidine
CID 336207
5,7,11-Trimethyl-1,3,4,6,10,12-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 338184
Bis-S-triazolo[4,3-b,3',4'-f]pyridazine, 3,3'-dimethyl
CID 604635
7-Methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 15618573

Frequently Asked Questions

What is the IUPAC name of 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The IUPAC name of 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (CID 12581793) is 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.
What is the SMILES notation for 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The canonical SMILES for 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is Cc1cc2nnc(C)n2c2nnc(C)n12.
What is the InChIKey of 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The InChIKey is UKDOMONKXPLQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6/c1-5-4-8-12-10-7(3)15(8)9-13-11-6(2)14(5)9/h4H,1-3H3.
What are the key properties of 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene has a molecular weight of 202.22 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,12-trimethyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is sourced from PubChem (CID 12581793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).