3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride

C11H18ClN3O — CID 171323002

IUPAC3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride
SMILESC1CNc2n[nH]c(C3CCOCC3)c2C1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-2-9-10(8-3-6-15-7-4-8)13-14-11(9)12-5-1;/h8H,1-7H2,(H2,12,13,14);1H
InChIKeyMMJGYTRHYDSYGE-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.08
Rot. Bonds1

About 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride

3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride (PubChem CID 171323002) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride
PubChem CID171323002
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride
SMILESC1CNc2n[nH]c(C3CCOCC3)c2C1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-2-9-10(8-3-6-15-7-4-8)13-14-11(9)12-5-1;/h8H,1-7H2,(H2,12,13,14);1H
InChIKeyMMJGYTRHYDSYGE-UHFFFAOYSA-N
XLogP2.08
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride?
The IUPAC name of 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride (CID 171323002) is 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride.
What is the SMILES notation for 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride?
The canonical SMILES for 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride is C1CNc2n[nH]c(C3CCOCC3)c2C1.Cl.
What is the InChIKey of 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride?
The InChIKey is MMJGYTRHYDSYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-2-9-10(8-3-6-15-7-4-8)13-14-11(9)12-5-1;/h8H,1-7H2,(H2,12,13,14);1H.
What are the key properties of 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride?
3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;hydrochloride is sourced from PubChem (CID 171323002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).