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

C12H13N3O — CID 24847216

IUPAC1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCCCc1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C12H13N3O/c1-2-5-11-13-14-12-8-16-10-7-4-3-6-9(10)15(11)12/h3-4,6-7H,2,5,8H2,1H3
InChIKeyPOZFEPOYEJWVIS-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.11
Rot. Bonds2

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

1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (PubChem CID 24847216) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.

Molecular Properties

Compound Name1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
PubChem CID24847216
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
SMILESCCCc1nnc2n1-c1ccccc1OC2
InChIInChI=1S/C12H13N3O/c1-2-5-11-13-14-12-8-16-10-7-4-3-6-9(10)15(11)12/h3-4,6-7H,2,5,8H2,1H3
InChIKeyPOZFEPOYEJWVIS-UHFFFAOYSA-N
XLogP2.11
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name of 1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine (CID 24847216) is 1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine.
What is the SMILES notation for 1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The canonical SMILES for 1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is CCCc1nnc2n1-c1ccccc1OC2.
What is the InChIKey of 1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is POZFEPOYEJWVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-2-5-11-13-14-12-8-16-10-7-4-3-6-9(10)15(11)12/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine?
1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine has a molecular weight of 215.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine is sourced from PubChem (CID 24847216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).