1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

C9H14N4 — CID 105437695

IUPAC1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1nn(C2CNC2)c2c1CNCC2
InChIInChI=1S/C9H14N4/c1-2-10-3-7-4-12-13(9(1)7)8-5-11-6-8/h4,8,10-11H,1-3,5-6H2
InChIKeyPWNUGYKVLPCYJG-UHFFFAOYSA-N
MW178.24 g/mol
LogP-0.33
Rot. Bonds1

About 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine

1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 105437695) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID105437695
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILESc1nn(C2CNC2)c2c1CNCC2
InChIInChI=1S/C9H14N4/c1-2-10-3-7-4-12-13(9(1)7)8-5-11-6-8/h4,8,10-11H,1-3,5-6H2
InChIKeyPWNUGYKVLPCYJG-UHFFFAOYSA-N
XLogP-0.33
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The IUPAC name of 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 105437695) is 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The canonical SMILES for 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is c1nn(C2CNC2)c2c1CNCC2.
What is the InChIKey of 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
The InChIKey is PWNUGYKVLPCYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-10-3-7-4-12-13(9(1)7)8-5-11-6-8/h4,8,10-11H,1-3,5-6H2.
What are the key properties of 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine?
1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 178.24 g/mol, XLogP of -0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 105437695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).