5-chloro-1,2,3-benzotriazine

C7H4ClN3 — CID 151879254

IUPAC5-chloro-1,2,3-benzotriazine
SMILESClc1cccc2nnncc12
InChIInChI=1S/C7H4ClN3/c8-6-2-1-3-7-5(6)4-9-11-10-7/h1-4H
InChIKeySOIZYCHJYIZDPA-UHFFFAOYSA-N
MW165.58 g/mol
LogP1.68
Rot. Bonds

About 5-chloro-1,2,3-benzotriazine

5-chloro-1,2,3-benzotriazine (PubChem CID 151879254) has the molecular formula C7H4ClN3 and a molecular weight of 165.58 g/mol. Its IUPAC name is 5-chloro-1,2,3-benzotriazine.

Molecular Properties

Compound Name5-chloro-1,2,3-benzotriazine
PubChem CID151879254
Molecular FormulaC7H4ClN3
Molecular Weight165.58 g/mol
Exact Mass165.01
IUPAC Name5-chloro-1,2,3-benzotriazine
SMILESClc1cccc2nnncc12
InChIInChI=1S/C7H4ClN3/c8-6-2-1-3-7-5(6)4-9-11-10-7/h1-4H
InChIKeySOIZYCHJYIZDPA-UHFFFAOYSA-N
XLogP1.68
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,2,3-benzotriazine?
The IUPAC name of 5-chloro-1,2,3-benzotriazine (CID 151879254) is 5-chloro-1,2,3-benzotriazine.
What is the SMILES notation for 5-chloro-1,2,3-benzotriazine?
The canonical SMILES for 5-chloro-1,2,3-benzotriazine is Clc1cccc2nnncc12.
What is the InChIKey of 5-chloro-1,2,3-benzotriazine?
The InChIKey is SOIZYCHJYIZDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3/c8-6-2-1-3-7-5(6)4-9-11-10-7/h1-4H.
What are the key properties of 5-chloro-1,2,3-benzotriazine?
5-chloro-1,2,3-benzotriazine has a molecular weight of 165.58 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,2,3-benzotriazine is sourced from PubChem (CID 151879254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).