2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

C9H13N3OS — CID 105465137

IUPAC2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1C1COC1)CSCC2
InChIInChI=1S/C9H13N3OS/c10-9-7-1-2-14-5-8(7)11-12(9)6-3-13-4-6/h6H,1-5,10H2
InChIKeyVWGDDIOMCGUSFJ-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.83
Rot. Bonds1

About 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (PubChem CID 105465137) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
PubChem CID105465137
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESNc1c2c(nn1C1COC1)CSCC2
InChIInChI=1S/C9H13N3OS/c10-9-7-1-2-14-5-8(7)11-12(9)6-3-13-4-6/h6H,1-5,10H2
InChIKeyVWGDDIOMCGUSFJ-UHFFFAOYSA-N
XLogP0.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83679998
2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105465430
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
CID 105457821
2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83871483
2-cyclopropyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105438145
2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105498171
2-(oxan-4-yl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105480663
2-cyclopropyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 105438148
2-cyclohexyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105478038
2-(1-cyclopropylazetidin-3-yl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105494782
2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
CID 58961033
2-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 105479436

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (CID 105465137) is 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is Nc1c2c(nn1C1COC1)CSCC2.
What is the InChIKey of 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The InChIKey is VWGDDIOMCGUSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c10-9-7-1-2-14-5-8(7)11-12(9)6-3-13-4-6/h6H,1-5,10H2.
What are the key properties of 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine has a molecular weight of 211.29 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 105465137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).