4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride

C6H10ClN3 — CID 55283146

IUPAC4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride
SMILESCl.c1n[nH]c2c1NCCC2
InChIInChI=1S/C6H9N3.ClH/c1-2-5-6(7-3-1)4-8-9-5;/h4,7H,1-3H2,(H,8,9);1H
InChIKeyPVKOWBFBILDXPG-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.19
Rot. Bonds

About 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride

4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride (PubChem CID 55283146) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride
PubChem CID55283146
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride
SMILESCl.c1n[nH]c2c1NCCC2
InChIInChI=1S/C6H9N3.ClH/c1-2-5-6(7-3-1)4-8-9-5;/h4,7H,1-3H2,(H,8,9);1H
InChIKeyPVKOWBFBILDXPG-UHFFFAOYSA-N
XLogP1.19
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130119178
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride
CID 131668643
6,7,8,9-tetrahydro-[1,2]oxazolo[4,5-f]quinoline
CID 176741794
6-pyrimidin-5-yl-1,2,3,4-tetrahydroquinoline
CID 23004948
1,2,3,4-tetrahydro-1,5-naphthyridine
CID 6917495
6-pyridazin-4-yl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 135388024
7-chloro-2,3,4,5-tetrahydro-1H-pyrido[2,3-b][1,4]diazepine
CID 145087238
1,2,3,4-tetrahydroquinoline;hydrobromide
CID 19771761
7-(1H-pyrazolo[5,4-c]pyridin-3-yl)-1,2,3,4-tetrahydroquinoline
CID 170703621
1,2,3,4,5,6-hexahydro-1,6-benzodiazocine
CID 2771763
ethane;6-methyl-1,2,3,4-tetrahydroquinoline
CID 144598135

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride (CID 55283146) is 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride is Cl.c1n[nH]c2c1NCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride?
The InChIKey is PVKOWBFBILDXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.ClH/c1-2-5-6(7-3-1)4-8-9-5;/h4,7H,1-3H2,(H,8,9);1H.
What are the key properties of 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride?
4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride has a molecular weight of 159.62 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1H-pyrazolo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 55283146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).