[(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine

C11H13N3OS — CID 129498365

IUPAC[(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine
SMILESNCc1cc2n(n1)C[C@H](c1cccs1)OC2
InChIInChI=1S/C11H13N3OS/c12-5-8-4-9-7-15-10(6-14(9)13-8)11-2-1-3-16-11/h1-4,10H,5-7,12H2/t10-/m1/s1
InChIKeyUMLFMQLVXMMRIE-SNVBAGLBSA-N
MW235.31 g/mol
LogP1.67
Rot. Bonds2

About [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine

[(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine (PubChem CID 129498365) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine.

Molecular Properties

Compound Name[(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine
PubChem CID129498365
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine
SMILESNCc1cc2n(n1)C[C@H](c1cccs1)OC2
InChIInChI=1S/C11H13N3OS/c12-5-8-4-9-7-15-10(6-14(9)13-8)11-2-1-3-16-11/h1-4,10H,5-7,12H2/t10-/m1/s1
InChIKeyUMLFMQLVXMMRIE-SNVBAGLBSA-N
XLogP1.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine?
The IUPAC name of [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine (CID 129498365) is [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine.
What is the SMILES notation for [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine?
The canonical SMILES for [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine is NCc1cc2n(n1)C[C@H](c1cccs1)OC2.
What is the InChIKey of [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine?
The InChIKey is UMLFMQLVXMMRIE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3OS/c12-5-8-4-9-7-15-10(6-14(9)13-8)11-2-1-3-16-11/h1-4,10H,5-7,12H2/t10-/m1/s1.
What are the key properties of [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine?
[(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine has a molecular weight of 235.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]methanamine is sourced from PubChem (CID 129498365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).