2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine

C7H12N4O — CID 82413271

IUPAC2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine
SMILESNCCc1nc2n(n1)CCCO2
InChIInChI=1S/C7H12N4O/c8-3-2-6-9-7-11(10-6)4-1-5-12-7/h1-5,8H2
InChIKeyJLYKZDODYRALLO-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.44
Rot. Bonds2

About 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine

2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine (PubChem CID 82413271) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine
PubChem CID82413271
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine
SMILESNCCc1nc2n(n1)CCCO2
InChIInChI=1S/C7H12N4O/c8-3-2-6-9-7-11(10-6)4-1-5-12-7/h1-5,8H2
InChIKeyJLYKZDODYRALLO-UHFFFAOYSA-N
XLogP-0.44
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine?
The IUPAC name of 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine (CID 82413271) is 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine.
What is the SMILES notation for 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine?
The canonical SMILES for 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine is NCCc1nc2n(n1)CCCO2.
What is the InChIKey of 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine?
The InChIKey is JLYKZDODYRALLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-3-2-6-9-7-11(10-6)4-1-5-12-7/h1-5,8H2.
What are the key properties of 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine?
2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine has a molecular weight of 168.20 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine is sourced from PubChem (CID 82413271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).