2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

C7H11N3O2S — CID 105453536

IUPAC2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESCn1nc2c(c1N)CCS(=O)(=O)C2
InChIInChI=1S/C7H11N3O2S/c1-10-7(8)5-2-3-13(11,12)4-6(5)9-10/h2-4,8H2,1H3
InChIKeyJROPTFVEHOJNIO-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.53
Rot. Bonds

About 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (PubChem CID 105453536) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
PubChem CID105453536
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESCn1nc2c(c1N)CCS(=O)(=O)C2
InChIInChI=1S/C7H11N3O2S/c1-10-7(8)5-2-3-13(11,12)4-6(5)9-10/h2-4,8H2,1H3
InChIKeyJROPTFVEHOJNIO-UHFFFAOYSA-N
XLogP-0.53
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,6-dioxo-2-propan-2-yl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105486952
1-(2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-yl)ethanone
CID 105485518
2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbaldehyde
CID 105452702
2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83679998
2-methyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazole-3-carbonitrile
CID 105450536
2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-amine
CID 83679999
1-methyl-6,7-dihydro-4H-thiopyrano[3,4-d]pyrazole 5,5-dioxide
CID 130250704
(2-methyl-7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidin-4-yl)methanamine
CID 82391352
4-methyl-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-amine
CID 105466719
2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine
CID 83919698
5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
CID 83863716
2-methyl-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-amine
CID 28907276

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (CID 105453536) is 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is Cn1nc2c(c1N)CCS(=O)(=O)C2.
What is the InChIKey of 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The InChIKey is JROPTFVEHOJNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-10-7(8)5-2-3-13(11,12)4-6(5)9-10/h2-4,8H2,1H3.
What are the key properties of 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine has a molecular weight of 201.25 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 105453536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).