(6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C10H15N3O — CID 149212917

IUPAC(6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnn2c1OC[C@H](N1CCC1)C2
InChIInChI=1S/C10H15N3O/c1-8-5-11-13-6-9(7-14-10(8)13)12-3-2-4-12/h5,9H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyXGXWYBFGPXBQEH-SECBINFHSA-N
MW193.25 g/mol
LogP0.66
Rot. Bonds1

About (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

(6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 149212917) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID149212917
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCc1cnn2c1OC[C@H](N1CCC1)C2
InChIInChI=1S/C10H15N3O/c1-8-5-11-13-6-9(7-14-10(8)13)12-3-2-4-12/h5,9H,2-4,6-7H2,1H3/t9-/m1/s1
InChIKeyXGXWYBFGPXBQEH-SECBINFHSA-N
XLogP0.66
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 149212917) is (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cc1cnn2c1OC[C@H](N1CCC1)C2.
What is the InChIKey of (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is XGXWYBFGPXBQEH-SECBINFHSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-5-11-13-6-9(7-14-10(8)13)12-3-2-4-12/h5,9H,2-4,6-7H2,1H3/t9-/m1/s1.
What are the key properties of (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
(6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 193.25 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(azetidin-1-yl)-3-methyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 149212917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).