1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol

C13H22N4O2 — CID 127614779

IUPAC1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESCN1CCOC2CN(CC(O)Cn3cccn3)CC21
InChIInChI=1S/C13H22N4O2/c1-15-5-6-19-13-10-16(9-12(13)15)7-11(18)8-17-4-2-3-14-17/h2-4,11-13,18H,5-10H2,1H3
InChIKeyGSMRUVOONWZUJH-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.74
Rot. Bonds4

About 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol

1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol (PubChem CID 127614779) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol
PubChem CID127614779
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol
SMILESCN1CCOC2CN(CC(O)Cn3cccn3)CC21
InChIInChI=1S/C13H22N4O2/c1-15-5-6-19-13-10-16(9-12(13)15)7-11(18)8-17-4-2-3-14-17/h2-4,11-13,18H,5-10H2,1H3
InChIKeyGSMRUVOONWZUJH-UHFFFAOYSA-N
XLogP-0.74
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol (CID 127614779) is 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol is CN1CCOC2CN(CC(O)Cn3cccn3)CC21.
What is the InChIKey of 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is GSMRUVOONWZUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-15-5-6-19-13-10-16(9-12(13)15)7-11(18)8-17-4-2-3-14-17/h2-4,11-13,18H,5-10H2,1H3.
What are the key properties of 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol?
1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 266.34 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 127614779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).