2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride

C11H14Cl2N4 — CID 118469528

IUPAC2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride
SMILESCc1cc(-n2cc3c(n2)CNC3)ccn1.Cl.Cl
InChIInChI=1S/C11H12N4.2ClH/c1-8-4-10(2-3-13-8)15-7-9-5-12-6-11(9)14-15;;/h2-4,7,12H,5-6H2,1H3;2*1H
InChIKeyYOFKTABOPKZWBH-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.02
Rot. Bonds1

About 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride

2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride (PubChem CID 118469528) has the molecular formula C11H14Cl2N4 and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride.

Molecular Properties

Compound Name2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride
PubChem CID118469528
Molecular FormulaC11H14Cl2N4
Molecular Weight273.17 g/mol
Exact Mass272.06
IUPAC Name2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride
SMILESCc1cc(-n2cc3c(n2)CNC3)ccn1.Cl.Cl
InChIInChI=1S/C11H12N4.2ClH/c1-8-4-10(2-3-13-8)15-7-9-5-12-6-11(9)14-15;;/h2-4,7,12H,5-6H2,1H3;2*1H
InChIKeyYOFKTABOPKZWBH-UHFFFAOYSA-N
XLogP2.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride?
The IUPAC name of 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride (CID 118469528) is 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride.
What is the SMILES notation for 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride?
The canonical SMILES for 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride is Cc1cc(-n2cc3c(n2)CNC3)ccn1.Cl.Cl.
What is the InChIKey of 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride?
The InChIKey is YOFKTABOPKZWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4.2ClH/c1-8-4-10(2-3-13-8)15-7-9-5-12-6-11(9)14-15;;/h2-4,7,12H,5-6H2,1H3;2*1H.
What are the key properties of 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride?
2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride has a molecular weight of 273.17 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-pyridinyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;dihydrochloride is sourced from PubChem (CID 118469528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).