3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride

C6H11Cl2N3 — CID 91663839

IUPAC3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride
SMILESCc1[nH]nc2c1CNC2.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-4-5-2-7-3-6(5)9-8-4;;/h7H,2-3H2,1H3,(H,8,9);2*1H
InChIKeyGPBKNVKZBLVSQO-UHFFFAOYSA-N
MW196.08 g/mol
LogP1.16
Rot. Bonds

About 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride

3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride (PubChem CID 91663839) has the molecular formula C6H11Cl2N3 and a molecular weight of 196.08 g/mol. Its IUPAC name is 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride.

Molecular Properties

Compound Name3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride
PubChem CID91663839
Molecular FormulaC6H11Cl2N3
Molecular Weight196.08 g/mol
Exact Mass195.03
IUPAC Name3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride
SMILESCc1[nH]nc2c1CNC2.Cl.Cl
InChIInChI=1S/C6H9N3.2ClH/c1-4-5-2-7-3-6(5)9-8-4;;/h7H,2-3H2,1H3,(H,8,9);2*1H
InChIKeyGPBKNVKZBLVSQO-UHFFFAOYSA-N
XLogP1.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.08
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride?
The IUPAC name of 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride (CID 91663839) is 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride.
What is the SMILES notation for 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride?
The canonical SMILES for 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride is Cc1[nH]nc2c1CNC2.Cl.Cl.
What is the InChIKey of 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride?
The InChIKey is GPBKNVKZBLVSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.2ClH/c1-4-5-2-7-3-6(5)9-8-4;;/h7H,2-3H2,1H3,(H,8,9);2*1H.
What are the key properties of 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride?
3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride has a molecular weight of 196.08 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole;dihydrochloride is sourced from PubChem (CID 91663839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).