1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one

C11H12N4OS — CID 137011069

IUPAC1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESCc1nn(C)c2c1NC(=O)C(c1cccs1)N2
InChIInChI=1S/C11H12N4OS/c1-6-8-10(15(2)14-6)12-9(11(16)13-8)7-4-3-5-17-7/h3-5,9,12H,1-2H3,(H,13,16)
InChIKeySKXOINCNQNIASV-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.90
Rot. Bonds1

About 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one

1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one (PubChem CID 137011069) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one.

Molecular Properties

Compound Name1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
PubChem CID137011069
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
SMILESCc1nn(C)c2c1NC(=O)C(c1cccs1)N2
InChIInChI=1S/C11H12N4OS/c1-6-8-10(15(2)14-6)12-9(11(16)13-8)7-4-3-5-17-7/h3-5,9,12H,1-2H3,(H,13,16)
InChIKeySKXOINCNQNIASV-UHFFFAOYSA-N
XLogP1.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-3-methyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one
CID 136952923
6-bromo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 115285760
3-methyl-1-pyrimidin-2-yl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135655711
5-(5-thiophen-2-ylthiophen-2-yl)imidazolidine-2,4-dione
CID 57390260
(5R)-1,3-dimethyl-5-thiophen-2-yl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 29133033
2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile
CID 113444626
7-bromo-6-fluoro-3-thiophen-2-yl-3,4-dihydro-1H-quinoxalin-2-one
CID 113278973
7-bromo-3-thiophen-2-yl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 115285765
(4R)-1-(3-chlorophenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135906116
1,4-dithiophen-2-yl-1,2,4,5-tetrahydropyrrolo[3,4-c]pyrrole-3,6-dione
CID 77153151
(4S)-1-(4-ethylphenyl)-3-methyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 136871564
1-(4-chlorophenyl)-3-methyl-4-thiophen-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135653516

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one?
The IUPAC name of 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one (CID 137011069) is 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one.
What is the SMILES notation for 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one?
The canonical SMILES for 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one is Cc1nn(C)c2c1NC(=O)C(c1cccs1)N2.
What is the InChIKey of 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one?
The InChIKey is SKXOINCNQNIASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-8-10(15(2)14-6)12-9(11(16)13-8)7-4-3-5-17-7/h3-5,9,12H,1-2H3,(H,13,16).
What are the key properties of 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one?
1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one has a molecular weight of 248.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-thiophen-2-yl-6,7-dihydro-4H-pyrazolo[4,5-b]pyrazin-5-one is sourced from PubChem (CID 137011069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).