8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene

C7H7N3 — CID 59834052

IUPAC8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESCn1n2c3ccccc3n12
InChIInChI=1S/C7H7N3/c1-8-9-6-4-2-3-5-7(6)10(8)9/h2-5H,1H3
InChIKeyQAVGLYKUBXPJFM-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.97
Rot. Bonds

About 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene

8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene (PubChem CID 59834052) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene.

Molecular Properties

Compound Name8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene
PubChem CID59834052
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene
SMILESCn1n2c3ccccc3n12
InChIInChI=1S/C7H7N3/c1-8-9-6-4-2-3-5-7(6)10(8)9/h2-5H,1H3
InChIKeyQAVGLYKUBXPJFM-UHFFFAOYSA-N
XLogP0.97
TPSA13.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The IUPAC name of 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene (CID 59834052) is 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene.
What is the SMILES notation for 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The canonical SMILES for 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene is Cn1n2c3ccccc3n12.
What is the InChIKey of 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
The InChIKey is QAVGLYKUBXPJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-8-9-6-4-2-3-5-7(6)10(8)9/h2-5H,1H3.
What are the key properties of 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene?
8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene has a molecular weight of 133.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7,8,9-triazatricyclo[4.3.0.07,9]nona-1,3,5-triene is sourced from PubChem (CID 59834052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).