8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine

C8H13N3O — CID 170079469

IUPAC8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
SMILESCC(C)C1CCOn2ncnc21
InChIInChI=1S/C8H13N3O/c1-6(2)7-3-4-12-11-8(7)9-5-10-11/h5-7H,3-4H2,1-2H3
InChIKeyXKMAWXDGEHISHQ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.85
Rot. Bonds1

About 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine

8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine (PubChem CID 170079469) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine.

Molecular Properties

Compound Name8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
PubChem CID170079469
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine
SMILESCC(C)C1CCOn2ncnc21
InChIInChI=1S/C8H13N3O/c1-6(2)7-3-4-12-11-8(7)9-5-10-11/h5-7H,3-4H2,1-2H3
InChIKeyXKMAWXDGEHISHQ-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]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 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine?
The IUPAC name of 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine (CID 170079469) is 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine.
What is the SMILES notation for 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine?
The canonical SMILES for 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine is CC(C)C1CCOn2ncnc21.
What is the InChIKey of 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine?
The InChIKey is XKMAWXDGEHISHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)7-3-4-12-11-8(7)9-5-10-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine?
8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine has a molecular weight of 167.21 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-7,8-dihydro-6H-[1,2,4]triazolo[1,5-b]oxazine is sourced from PubChem (CID 170079469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).