2H-cyclohepta[h][1,2,3]benzotriazine

C12H9N3 — CID 87491953

IUPAC2H-cyclohepta[h][1,2,3]benzotriazine
SMILESC1=CC=c2c(ccc3c2=NNN=C3)C=C1
InChIInChI=1S/C12H9N3/c1-2-4-9-6-7-10-8-13-15-14-12(10)11(9)5-3-1/h1-8,15H
InChIKeyZACDMMFGQKIEEE-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.52
Rot. Bonds

About 2H-cyclohepta[h][1,2,3]benzotriazine

2H-cyclohepta[h][1,2,3]benzotriazine (PubChem CID 87491953) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2H-cyclohepta[h][1,2,3]benzotriazine.

Molecular Properties

Compound Name2H-cyclohepta[h][1,2,3]benzotriazine
PubChem CID87491953
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name2H-cyclohepta[h][1,2,3]benzotriazine
SMILESC1=CC=c2c(ccc3c2=NNN=C3)C=C1
InChIInChI=1S/C12H9N3/c1-2-4-9-6-7-10-8-13-15-14-12(10)11(9)5-3-1/h1-8,15H
InChIKeyZACDMMFGQKIEEE-UHFFFAOYSA-N
XLogP0.52
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2H-cyclohepta[h][1,2,3]benzotriazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2H-cyclohepta[h][1,2,3]benzotriazine?
The IUPAC name of 2H-cyclohepta[h][1,2,3]benzotriazine (CID 87491953) is 2H-cyclohepta[h][1,2,3]benzotriazine.
What is the SMILES notation for 2H-cyclohepta[h][1,2,3]benzotriazine?
The canonical SMILES for 2H-cyclohepta[h][1,2,3]benzotriazine is C1=CC=c2c(ccc3c2=NNN=C3)C=C1.
What is the InChIKey of 2H-cyclohepta[h][1,2,3]benzotriazine?
The InChIKey is ZACDMMFGQKIEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-4-9-6-7-10-8-13-15-14-12(10)11(9)5-3-1/h1-8,15H.
What are the key properties of 2H-cyclohepta[h][1,2,3]benzotriazine?
2H-cyclohepta[h][1,2,3]benzotriazine has a molecular weight of 195.22 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-cyclohepta[h][1,2,3]benzotriazine is sourced from PubChem (CID 87491953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).