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

C14H10N4O — CID 24847217

IUPAC1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESc1ccc(-c2nnc3n2-c2ccccc2OC3)nc1
InChIInChI=1S/C14H10N4O/c1-2-7-12-11(6-1)18-13(9-19-12)16-17-14(18)10-5-3-4-8-15-10/h1-8H,9H2
InChIKeyOYXBBIOHKVASHE-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.22
Rot. Bonds1

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

1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 24847217) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID24847217
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESc1ccc(-c2nnc3n2-c2ccccc2OC3)nc1
InChIInChI=1S/C14H10N4O/c1-2-7-12-11(6-1)18-13(9-19-12)16-17-14(18)10-5-3-4-8-15-10/h1-8H,9H2
InChIKeyOYXBBIOHKVASHE-UHFFFAOYSA-N
XLogP2.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 24847217) is 1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is c1ccc(-c2nnc3n2-c2ccccc2OC3)nc1.
What is the InChIKey of 1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is OYXBBIOHKVASHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-2-7-12-11(6-1)18-13(9-19-12)16-17-14(18)10-5-3-4-8-15-10/h1-8H,9H2.
What are the key properties of 1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 250.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 24847217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).