1,2,3-benzotriazine

C7H5N3 — CID 11018899

IUPAC1,2,3-benzotriazine
SMILESc1ccc2nnncc2c1
InChIInChI=1S/C7H5N3/c1-2-4-7-6(3-1)5-8-10-9-7/h1-5H
InChIKeyOWQPOVKKUWUEKE-UHFFFAOYSA-N
MW131.14 g/mol
LogP1.02
Rot. Bonds

About 1,2,3-benzotriazine

1,2,3-benzotriazine (PubChem CID 11018899) has the molecular formula C7H5N3 and a molecular weight of 131.14 g/mol. Its IUPAC name is 1,2,3-benzotriazine.

Molecular Properties

Compound Name1,2,3-benzotriazine
PubChem CID11018899
Molecular FormulaC7H5N3
Molecular Weight131.14 g/mol
Exact Mass131.05
IUPAC Name1,2,3-benzotriazine
SMILESc1ccc2nnncc2c1
InChIInChI=1S/C7H5N3/c1-2-4-7-6(3-1)5-8-10-9-7/h1-5H
InChIKeyOWQPOVKKUWUEKE-UHFFFAOYSA-N
XLogP1.02
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.14
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzotriazine?
The IUPAC name of 1,2,3-benzotriazine (CID 11018899) is 1,2,3-benzotriazine.
What is the SMILES notation for 1,2,3-benzotriazine?
The canonical SMILES for 1,2,3-benzotriazine is c1ccc2nnncc2c1.
What is the InChIKey of 1,2,3-benzotriazine?
The InChIKey is OWQPOVKKUWUEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3/c1-2-4-7-6(3-1)5-8-10-9-7/h1-5H.
What are the key properties of 1,2,3-benzotriazine?
1,2,3-benzotriazine has a molecular weight of 131.14 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzotriazine is sourced from PubChem (CID 11018899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).