7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

C10H6ClN5 — CID 3070830

IUPAC7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESClc1cccc(-c2cnn3cnnc3n2)c1
InChIInChI=1S/C10H6ClN5/c11-8-3-1-2-7(4-8)9-5-13-16-6-12-15-10(16)14-9/h1-6H
InChIKeyHZXHOVMNCDNGGC-UHFFFAOYSA-N
MW231.65 g/mol
LogP1.84
Rot. Bonds1

About 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine

7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 3070830) has the molecular formula C10H6ClN5 and a molecular weight of 231.65 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID3070830
Molecular FormulaC10H6ClN5
Molecular Weight231.65 g/mol
Exact Mass231.03
IUPAC Name7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESClc1cccc(-c2cnn3cnnc3n2)c1
InChIInChI=1S/C10H6ClN5/c11-8-3-1-2-7(4-8)9-5-13-16-6-12-15-10(16)14-9/h1-6H
InChIKeyHZXHOVMNCDNGGC-UHFFFAOYSA-N
XLogP1.84
TPSA55.97 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 ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 3070830) is 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Clc1cccc(-c2cnn3cnnc3n2)c1.
What is the InChIKey of 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is HZXHOVMNCDNGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN5/c11-8-3-1-2-7(4-8)9-5-13-16-6-12-15-10(16)14-9/h1-6H.
What are the key properties of 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 231.65 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 3070830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).