3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C8H8N2O — CID 155819315

IUPAC3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESC#Cc1cnn2c1OCCC2
InChIInChI=1S/C8H8N2O/c1-2-7-6-9-10-4-3-5-11-8(7)10/h1,6H,3-5H2
InChIKeyWXODOMOFQIWTPY-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.65
Rot. Bonds

About 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 155819315) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID155819315
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESC#Cc1cnn2c1OCCC2
InChIInChI=1S/C8H8N2O/c1-2-7-6-9-10-4-3-5-11-8(7)10/h1,6H,3-5H2
InChIKeyWXODOMOFQIWTPY-UHFFFAOYSA-N
XLogP0.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine
CID 69188689
3-bromo-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 84040282
3-iodo-5H,6H,7H-pyrazolo(3,2-b)(1,3)oxazine
CID 124155298
3-iodo-6-methyl-5H,6H,7H-pyrazolo[3,2-b][1,3]oxazine
CID 131285456
(6S)-6-fluoro-3-iodo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 129450636
3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 128964481
3-(trifluoromethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 141083368
1-Ethyl-4-fluoro-5-prop-2-ynoxypyrazole
CID 141420726
1-(Difluoromethyl)-4-methyl-5-prop-2-ynoxypyrazole
CID 141420738
6-fluoro-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 146618025
6-Fluoro-6-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 163323752
3-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 163602676

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 155819315) is 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is C#Cc1cnn2c1OCCC2.
What is the InChIKey of 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is WXODOMOFQIWTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-7-6-9-10-4-3-5-11-8(7)10/h1,6H,3-5H2.
What are the key properties of 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 148.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 155819315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).