6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol

C6H9N3O2 — CID 91647478

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol
SMILESOCc1nnc2n1CCOC2
InChIInChI=1S/C6H9N3O2/c10-3-5-7-8-6-4-11-2-1-9(5)6/h10H,1-4H2
InChIKeyVPKVOLNWGQRDCM-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.70
Rot. Bonds1

About 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol

6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol (PubChem CID 91647478) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol
PubChem CID91647478
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol
SMILESOCc1nnc2n1CCOC2
InChIInChI=1S/C6H9N3O2/c10-3-5-7-8-6-4-11-2-1-9(5)6/h10H,1-4H2
InChIKeyVPKVOLNWGQRDCM-UHFFFAOYSA-N
XLogP-0.70
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol (CID 91647478) is 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol is OCc1nnc2n1CCOC2.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol?
The InChIKey is VPKVOLNWGQRDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-3-5-7-8-6-4-11-2-1-9(5)6/h10H,1-4H2.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol?
6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol has a molecular weight of 155.16 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanol is sourced from PubChem (CID 91647478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).