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

C9H7N3O — CID 24847205

IUPAC4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1nncn1-2
InChIInChI=1S/C9H7N3O/c1-2-4-8-7(3-1)12-6-10-11-9(12)5-13-8/h1-4,6H,5H2
InChIKeyASUHODRZSUDMNX-UHFFFAOYSA-N
MW173.18 g/mol
LogP1.16
Rot. Bonds

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

4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 24847205) has the molecular formula C9H7N3O and a molecular weight of 173.18 g/mol. Its IUPAC name is 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID24847205
Molecular FormulaC9H7N3O
Molecular Weight173.18 g/mol
Exact Mass173.06
IUPAC Name4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESc1ccc2c(c1)OCc1nncn1-2
InChIInChI=1S/C9H7N3O/c1-2-4-8-7(3-1)12-6-10-11-9(12)5-13-8/h1-4,6H,5H2
InChIKeyASUHODRZSUDMNX-UHFFFAOYSA-N
XLogP1.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 24847205) is 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is c1ccc2c(c1)OCc1nncn1-2.
What is the InChIKey of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is ASUHODRZSUDMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c1-2-4-8-7(3-1)12-6-10-11-9(12)5-13-8/h1-4,6H,5H2.
What are the key properties of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 173.18 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 24847205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).