1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride

C7H12ClN3 — CID 131668643

IUPAC1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride
SMILESCl.Cn1ncc2c1CCCN2
InChIInChI=1S/C7H11N3.ClH/c1-10-7-3-2-4-8-6(7)5-9-10;/h5,8H,2-4H2,1H3;1H
InChIKeyTZSVRPOIGREZGC-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.20
Rot. Bonds

About 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride

1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride (PubChem CID 131668643) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride
PubChem CID131668643
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride
SMILESCl.Cn1ncc2c1CCCN2
InChIInChI=1S/C7H11N3.ClH/c1-10-7-3-2-4-8-6(7)5-9-10;/h5,8H,2-4H2,1H3;1H
InChIKeyTZSVRPOIGREZGC-UHFFFAOYSA-N
XLogP1.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride (CID 131668643) is 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride is Cl.Cn1ncc2c1CCCN2.
What is the InChIKey of 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride?
The InChIKey is TZSVRPOIGREZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c1-10-7-3-2-4-8-6(7)5-9-10;/h5,8H,2-4H2,1H3;1H.
What are the key properties of 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride?
1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 131668643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).