1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

C15H10ClN3O — CID 24847206

IUPAC1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESClc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1
InChIInChI=1S/C15H10ClN3O/c16-11-7-5-10(6-8-11)15-18-17-14-9-20-13-4-2-1-3-12(13)19(14)15/h1-8H,9H2
InChIKeyIAWSEHPLHLZBIK-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.48
Rot. Bonds1

About 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine

1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 24847206) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID24847206
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESClc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1
InChIInChI=1S/C15H10ClN3O/c16-11-7-5-10(6-8-11)15-18-17-14-9-20-13-4-2-1-3-12(13)19(14)15/h1-8H,9H2
InChIKeyIAWSEHPLHLZBIK-UHFFFAOYSA-N
XLogP3.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 24847206) is 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is Clc1ccc(-c2nnc3n2-c2ccccc2OC3)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is IAWSEHPLHLZBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c16-11-7-5-10(6-8-11)15-18-17-14-9-20-13-4-2-1-3-12(13)19(14)15/h1-8H,9H2.
What are the key properties of 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 283.72 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 24847206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).