1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide

C8H12N2OS — CID 131966428

IUPAC1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide
SMILESCc1nn(C)c2c1CS(=O)CC2
InChIInChI=1S/C8H12N2OS/c1-6-7-5-12(11)4-3-8(7)10(2)9-6/h3-5H2,1-2H3
InChIKeyGFQAYYWIKHJYLO-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.53
Rot. Bonds

About 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide

1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide (PubChem CID 131966428) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide.

Molecular Properties

Compound Name1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide
PubChem CID131966428
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide
SMILESCc1nn(C)c2c1CS(=O)CC2
InChIInChI=1S/C8H12N2OS/c1-6-7-5-12(11)4-3-8(7)10(2)9-6/h3-5H2,1-2H3
InChIKeyGFQAYYWIKHJYLO-UHFFFAOYSA-N
XLogP0.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide?
The IUPAC name of 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide (CID 131966428) is 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide.
What is the SMILES notation for 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide?
The canonical SMILES for 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide is Cc1nn(C)c2c1CS(=O)CC2.
What is the InChIKey of 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide?
The InChIKey is GFQAYYWIKHJYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-7-5-12(11)4-3-8(7)10(2)9-6/h3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide?
1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide has a molecular weight of 184.26 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5-oxide is sourced from PubChem (CID 131966428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).