7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine

C10H6ClN5 — CID 21014966

IUPAC7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine
SMILESClc1ccc2nc(-n3ccnc3)nnc2c1
InChIInChI=1S/C10H6ClN5/c11-7-1-2-8-9(5-7)14-15-10(13-8)16-4-3-12-6-16/h1-6H
InChIKeyDGTGEGYFJGFHNA-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.86
Rot. Bonds1

About 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine

7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine (PubChem CID 21014966) has the molecular formula C10H6ClN5 and a molecular weight of 231.65 g/mol. Its IUPAC name is 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine.

Molecular Properties

Compound Name7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine
PubChem CID21014966
Molecular FormulaC10H6ClN5
Molecular Weight231.65 g/mol
Exact Mass231.03
IUPAC Name7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine
SMILESClc1ccc2nc(-n3ccnc3)nnc2c1
InChIInChI=1S/C10H6ClN5/c11-7-1-2-8-9(5-7)14-15-10(13-8)16-4-3-12-6-16/h1-6H
InChIKeyDGTGEGYFJGFHNA-UHFFFAOYSA-N
XLogP1.86
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine?
The IUPAC name of 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine (CID 21014966) is 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine.
What is the SMILES notation for 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine?
The canonical SMILES for 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine is Clc1ccc2nc(-n3ccnc3)nnc2c1.
What is the InChIKey of 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine?
The InChIKey is DGTGEGYFJGFHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5/c11-7-1-2-8-9(5-7)14-15-10(13-8)16-4-3-12-6-16/h1-6H.
What are the key properties of 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine?
7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine has a molecular weight of 231.65 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-imidazol-1-yl-1,2,4-benzotriazine is sourced from PubChem (CID 21014966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).