1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride

C6H11Cl2N3 — CID 54772414

IUPAC1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride
SMILESCl.Cl.Cn1ncc2c1CNC2
InChIInChI=1S/C6H9N3.2ClH/c1-9-6-4-7-2-5(6)3-8-9;;/h3,7H,2,4H2,1H3;2*1H
InChIKeyYURPYYXNMQGFRW-UHFFFAOYSA-N
MW196.08 g/mol
LogP0.87
Rot. Bonds

About 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride

1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride (PubChem CID 54772414) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride
PubChem CID54772414
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride
SMILESCl.Cl.Cn1ncc2c1CNC2
InChIInChI=1S/C6H9N3.2ClH/c1-9-6-4-7-2-5(6)3-8-9;;/h3,7H,2,4H2,1H3;2*1H
InChIKeyYURPYYXNMQGFRW-UHFFFAOYSA-N
XLogP0.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride?
The IUPAC name of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride (CID 54772414) is 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride.
What is the SMILES notation for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride?
The canonical SMILES for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride is Cl.Cl.Cn1ncc2c1CNC2.
What is the InChIKey of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride?
The InChIKey is YURPYYXNMQGFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-9-6-4-7-2-5(6)3-8-9;;/h3,7H,2,4H2,1H3;2*1H.
What are the key properties of 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride?
1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;dihydrochloride is sourced from PubChem (CID 54772414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).