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

C11H8ClN5 — CID 3054502

IUPAC7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1nnc2nc(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C11H8ClN5/c1-7-15-16-11-14-10(6-13-17(7)11)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyFHBJDIHRKZWLKI-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.15
Rot. Bonds1

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

7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (PubChem CID 3054502) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.

Molecular Properties

Compound Name7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
PubChem CID3054502
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
SMILESCc1nnc2nc(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C11H8ClN5/c1-7-15-16-11-14-10(6-13-17(7)11)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKeyFHBJDIHRKZWLKI-UHFFFAOYSA-N
XLogP2.15
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The IUPAC name of 7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine (CID 3054502) is 7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine.
What is the SMILES notation for 7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The canonical SMILES for 7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is Cc1nnc2nc(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of 7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
The InChIKey is FHBJDIHRKZWLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c1-7-15-16-11-14-10(6-13-17(7)11)8-2-4-9(12)5-3-8/h2-6H,1H3.
What are the key properties of 7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine?
7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine has a molecular weight of 245.67 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine is sourced from PubChem (CID 3054502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).