3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene

C11H10N2 — CID 11829877

IUPAC3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene
SMILESc1ncc2cncc3c2c1CCC3
InChIInChI=1S/C11H10N2/c1-2-8-4-12-6-10-7-13-5-9(3-1)11(8)10/h4-7H,1-3H2
InChIKeyGVTKQUZZAZTPII-UHFFFAOYSA-N
MW170.22 g/mol
LogP2.12
Rot. Bonds

About 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene

3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene (PubChem CID 11829877) has the molecular formula C11H10N2 and a molecular weight of 170.22 g/mol. Its IUPAC name is 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene.

Molecular Properties

Compound Name3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene
PubChem CID11829877
Molecular FormulaC11H10N2
Molecular Weight170.22 g/mol
Exact Mass170.08
IUPAC Name3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene
SMILESc1ncc2cncc3c2c1CCC3
InChIInChI=1S/C11H10N2/c1-2-8-4-12-6-10-7-13-5-9(3-1)11(8)10/h4-7H,1-3H2
InChIKeyGVTKQUZZAZTPII-UHFFFAOYSA-N
XLogP2.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Isoquinoline
CID 8405
2-Pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline
CID 9877750
Isoquinoline hydrochloride
CID 88878
4-Methyl-2,7-naphthyridine
CID 45079668
2-Methyl-7-m-tolyl-1,6-naphthyridine
CID 44434750
3-(Pyridin-4-yl)quinoline
CID 10081720
7-(3-Fluoro-5-methylphenyl)-1,6-naphthyridine
CID 44434723
2-Pyridin-3-ylquinoline
CID 222711
4-Methyl-2-pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline
CID 44294469
4-((6-Phenylpyridin-3-yl)methyl)isoquinoline
CID 57330011
2-Azapyrene
CID 9132
5-Methylbenzo[h][1,6]naphthyridine
CID 752148

Frequently Asked Questions

What is the IUPAC name of 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene?
The IUPAC name of 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene (CID 11829877) is 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene.
What is the SMILES notation for 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene?
The canonical SMILES for 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene is c1ncc2cncc3c2c1CCC3.
What is the InChIKey of 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene?
The InChIKey is GVTKQUZZAZTPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-2-8-4-12-6-10-7-13-5-9(3-1)11(8)10/h4-7H,1-3H2.
What are the key properties of 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene?
3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene has a molecular weight of 170.22 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9(13)-pentaene is sourced from PubChem (CID 11829877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).