1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride

C6H11Cl2N3O — CID 71755460

IUPAC1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride
SMILESCl.Cl.O=c1[nH][nH]c2c1CNCC2
InChIInChI=1S/C6H9N3O.2ClH/c10-6-4-3-7-2-1-5(4)8-9-6;;/h7H,1-3H2,(H2,8,9,10);2*1H
InChIKeyAMOYJASMPIJNDG-UHFFFAOYSA-N
MW212.08 g/mol
LogP0.19
Rot. Bonds

About 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride

1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride (PubChem CID 71755460) has the molecular formula C6H11Cl2N3O and a molecular weight of 212.08 g/mol. Its IUPAC name is 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride.

Molecular Properties

Compound Name1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride
PubChem CID71755460
Molecular FormulaC6H11Cl2N3O
Molecular Weight212.08 g/mol
Exact Mass211.03
IUPAC Name1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride
SMILESCl.Cl.O=c1[nH][nH]c2c1CNCC2
InChIInChI=1S/C6H9N3O.2ClH/c10-6-4-3-7-2-1-5(4)8-9-6;;/h7H,1-3H2,(H2,8,9,10);2*1H
InChIKeyAMOYJASMPIJNDG-UHFFFAOYSA-N
XLogP0.19
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.08
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2-aminoethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
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4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
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2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride
CID 91623813
2-cycloheptyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
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calcium;hydride;4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridin-3-one
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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride?
The IUPAC name of 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride (CID 71755460) is 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride.
What is the SMILES notation for 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride?
The canonical SMILES for 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride is Cl.Cl.O=c1[nH][nH]c2c1CNCC2.
What is the InChIKey of 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride?
The InChIKey is AMOYJASMPIJNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O.2ClH/c10-6-4-3-7-2-1-5(4)8-9-6;;/h7H,1-3H2,(H2,8,9,10);2*1H.
What are the key properties of 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride?
1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride has a molecular weight of 212.08 g/mol, XLogP of 0.19, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one;dihydrochloride is sourced from PubChem (CID 71755460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).