3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine

C8H13N3O — CID 58783727

IUPAC3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCC(C)c1nnc2n1COCC2
InChIInChI=1S/C8H13N3O/c1-6(2)8-10-9-7-3-4-12-5-11(7)8/h6H,3-5H2,1-2H3
InChIKeyHKIGYTGZVSXYCS-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.93
Rot. Bonds1

About 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine

3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (PubChem CID 58783727) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.

Molecular Properties

Compound Name3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
PubChem CID58783727
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine
SMILESCC(C)c1nnc2n1COCC2
InChIInChI=1S/C8H13N3O/c1-6(2)8-10-9-7-3-4-12-5-11(7)8/h6H,3-5H2,1-2H3
InChIKeyHKIGYTGZVSXYCS-UHFFFAOYSA-N
XLogP0.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The IUPAC name of 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine (CID 58783727) is 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine.
What is the SMILES notation for 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The canonical SMILES for 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is CC(C)c1nnc2n1COCC2.
What is the InChIKey of 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
The InChIKey is HKIGYTGZVSXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)8-10-9-7-3-4-12-5-11(7)8/h6H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine?
3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine has a molecular weight of 167.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine is sourced from PubChem (CID 58783727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).