1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride

C5H9Cl2N3 — CID 46840012

IUPAC1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride
SMILESCl.Cl.c1n[nH]c2c1CNC2
InChIInChI=1S/C5H7N3.2ClH/c1-4-2-7-8-5(4)3-6-1;;/h2,6H,1,3H2,(H,7,8);2*1H
InChIKeyNTOPLOHNMCXFRE-UHFFFAOYSA-N
MW182.05 g/mol
LogP0.86
Rot. Bonds

About 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride

1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride (PubChem CID 46840012) has the molecular formula C5H9Cl2N3 and a molecular weight of 182.05 g/mol. Its IUPAC name is 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride.

Molecular Properties

Compound Name1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride
PubChem CID46840012
Molecular FormulaC5H9Cl2N3
Molecular Weight182.05 g/mol
Exact Mass181.02
IUPAC Name1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride
SMILESCl.Cl.c1n[nH]c2c1CNC2
InChIInChI=1S/C5H7N3.2ClH/c1-4-2-7-8-5(4)3-6-1;;/h2,6H,1,3H2,(H,7,8);2*1H
InChIKeyNTOPLOHNMCXFRE-UHFFFAOYSA-N
XLogP0.86
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.05
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride?
The IUPAC name of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride (CID 46840012) is 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride.
What is the SMILES notation for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride?
The canonical SMILES for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride is Cl.Cl.c1n[nH]c2c1CNC2.
What is the InChIKey of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride?
The InChIKey is NTOPLOHNMCXFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3.2ClH/c1-4-2-7-8-5(4)3-6-1;;/h2,6H,1,3H2,(H,7,8);2*1H.
What are the key properties of 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride?
1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride has a molecular weight of 182.05 g/mol, XLogP of 0.86, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole;dihydrochloride is sourced from PubChem (CID 46840012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).