4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine

C10H10N4O — CID 59254405

IUPAC4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine
SMILESNCc1ccc2c(c1)-n1cnnc1CO2
InChIInChI=1S/C10H10N4O/c11-4-7-1-2-9-8(3-7)14-6-12-13-10(14)5-15-9/h1-3,6H,4-5,11H2
InChIKeyCMCXFXPRUMEANF-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.62
Rot. Bonds1

About 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine

4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine (PubChem CID 59254405) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine.

Molecular Properties

Compound Name4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine
PubChem CID59254405
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine
SMILESNCc1ccc2c(c1)-n1cnnc1CO2
InChIInChI=1S/C10H10N4O/c11-4-7-1-2-9-8(3-7)14-6-12-13-10(14)5-15-9/h1-3,6H,4-5,11H2
InChIKeyCMCXFXPRUMEANF-UHFFFAOYSA-N
XLogP0.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine?
The IUPAC name of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine (CID 59254405) is 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine.
What is the SMILES notation for 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine?
The canonical SMILES for 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine is NCc1ccc2c(c1)-n1cnnc1CO2.
What is the InChIKey of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine?
The InChIKey is CMCXFXPRUMEANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-4-7-1-2-9-8(3-7)14-6-12-13-10(14)5-15-9/h1-3,6H,4-5,11H2.
What are the key properties of 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine?
4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine has a molecular weight of 202.22 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-8-ylmethanamine is sourced from PubChem (CID 59254405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).