4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene

C7H5N3 — CID 90992358

IUPAC4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene
SMILESc1c2cn3cncc3c1N2
InChIInChI=1S/C7H5N3/c1-5-3-10-4-8-2-7(10)6(1)9-5/h1-4,9H
InChIKeyGHDMZKAXIZWPCM-UHFFFAOYSA-N
MW131.14 g/mol
LogP1.39
Rot. Bonds

About 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene

4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene (PubChem CID 90992358) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene.

Molecular Properties

Compound Name4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene
PubChem CID90992358
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene
SMILESc1c2cn3cncc3c1N2
InChIInChI=1S/C7H5N3/c1-5-3-10-4-8-2-7(10)6(1)9-5/h1-4,9H
InChIKeyGHDMZKAXIZWPCM-UHFFFAOYSA-N
XLogP1.39
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-6-chloroimidazo[1,5-a]pyridine
CID 118989006
6-(4-hydroxyphenyl)imidazo[1,5-a]pyridin-8-ol
CID 154660482
8-ethyl-6-methoxyimidazo[1,5-a]pyridine
CID 130066159
1-(6-chloroimidazo[1,5-a]pyridin-8-yl)ethanone
CID 154727621
6-methyl-8-(6-methyl-6-bicyclo[3.1.0]hexanyl)imidazo[1,5-a]pyridine
CID 157341637
6-ethylimidazo[1,5-a]pyridine-8-carbonitrile
CID 130066313
6-methylimidazo[1,5-a]pyrazine-8-carbonitrile
CID 76849831
cyclohexyl-(6-methylimidazo[1,5-a]pyridin-8-yl)methanone
CID 122609429
8-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]-6-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 155231197
8-chloro-6-phenylimidazo[1,5-a]pyrazine
CID 76849768
4-oxo-8-[6-(trifluoromethyl)imidazo[1,5-a]pyridin-8-yl]-1,3,8-triazaspiro[4.5]dec-1-en-2-olate
CID 145391093
6-(1H-indazol-7-yl)-8-pyridin-4-ylimidazo[1,5-a]pyridine
CID 134806999

Frequently Asked Questions

What is the IUPAC name of 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene?
The IUPAC name of 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene (CID 90992358) is 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene.
What is the SMILES notation for 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene?
The canonical SMILES for 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene is c1c2cn3cncc3c1N2.
What is the InChIKey of 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene?
The InChIKey is GHDMZKAXIZWPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-5-3-10-4-8-2-7(10)6(1)9-5/h1-4,9H.
What are the key properties of 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene?
4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene has a molecular weight of 131.14 g/mol, XLogP of 1.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,9-triazatricyclo[6.1.1.02,6]deca-1(10),2,4,7-tetraene is sourced from PubChem (CID 90992358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).