1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

C9H14N4OS — CID 155691673

IUPAC1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCSc1nn2c(c1N)CN(C(C)=O)CC2
InChIInChI=1S/C9H14N4OS/c1-6(14)12-3-4-13-7(5-12)8(10)9(11-13)15-2/h3-5,10H2,1-2H3
InChIKeyBUEQWNLBWWECKH-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.55
Rot. Bonds1

About 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone

1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (PubChem CID 155691673) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
PubChem CID155691673
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
SMILESCSc1nn2c(c1N)CN(C(C)=O)CC2
InChIInChI=1S/C9H14N4OS/c1-6(14)12-3-4-13-7(5-12)8(10)9(11-13)15-2/h3-5,10H2,1-2H3
InChIKeyBUEQWNLBWWECKH-UHFFFAOYSA-N
XLogP0.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The IUPAC name of 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone (CID 155691673) is 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone.
What is the SMILES notation for 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The canonical SMILES for 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is CSc1nn2c(c1N)CN(C(C)=O)CC2.
What is the InChIKey of 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
The InChIKey is BUEQWNLBWWECKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6(14)12-3-4-13-7(5-12)8(10)9(11-13)15-2/h3-5,10H2,1-2H3.
What are the key properties of 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone?
1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone has a molecular weight of 226.30 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylsulfanyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone is sourced from PubChem (CID 155691673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).