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

C7H6N6 — CID 15618573

IUPAC7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESCc1cc2nncn2c2nncn12
InChIInChI=1S/C7H6N6/c1-5-2-6-10-8-4-13(6)7-11-9-3-12(5)7/h2-4H,1H3
InChIKeyPATJTHFGUUMVGM-UHFFFAOYSA-N
MW174.17 g/mol
LogP0.08
Rot. Bonds

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

7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (PubChem CID 15618573) has the molecular formula C7H6N6 and a molecular weight of 174.17 g/mol. Its IUPAC name is 7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene.

Molecular Properties

Compound Name7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
PubChem CID15618573
Molecular FormulaC7H6N6
Molecular Weight174.17 g/mol
Exact Mass174.07
IUPAC Name7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
SMILESCc1cc2nncn2c2nncn12
InChIInChI=1S/C7H6N6/c1-5-2-6-10-8-4-13(6)7-11-9-3-12(5)7/h2-4H,1H3
InChIKeyPATJTHFGUUMVGM-UHFFFAOYSA-N
XLogP0.08
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene with MolForge

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Related Compounds

5-Methyltetraazolo(1,5-a)(1,2,4)triazolo(4,3-c)pyrimidine
CID 336207
1,3,4,6,10,11-Hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 338139
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
6-bromo-7-methyl-5H-[1,2,4]triazolo[1,5-c]pyrimidine
CID 87139281
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
1,3,5,6,10,12-Hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 12603845
7-Methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,7,9,11-tetraene-5-thione
CID 15618574
7-Methyl-5-methylsulfanyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 15618575
1,2,3,5,10,12-Hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 119098752
7-Chloro-1,3,5,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene
CID 124908977

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The IUPAC name of 7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene (CID 15618573) is 7-methyl-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 7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The canonical SMILES for 7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is Cc1cc2nncn2c2nncn12.
What is the InChIKey of 7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
The InChIKey is PATJTHFGUUMVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6/c1-5-2-6-10-8-4-13(6)7-11-9-3-12(5)7/h2-4H,1H3.
What are the key properties of 7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene?
7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene has a molecular weight of 174.17 g/mol, XLogP of 0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,3,4,6,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaene is sourced from PubChem (CID 15618573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).