[1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol

C9H13N3O — CID 170040454

IUPAC[1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol
SMILESNc1ccc(N2CC(CO)C2)cn1
InChIInChI=1S/C9H13N3O/c10-9-2-1-8(3-11-9)12-4-7(5-12)6-13/h1-3,7,13H,4-6H2,(H2,10,11)
InChIKeyIKDHLZGJVRAVTG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.09
Rot. Bonds2

About [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol

[1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol (PubChem CID 170040454) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol
PubChem CID170040454
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol
SMILESNc1ccc(N2CC(CO)C2)cn1
InChIInChI=1S/C9H13N3O/c10-9-2-1-8(3-11-9)12-4-7(5-12)6-13/h1-3,7,13H,4-6H2,(H2,10,11)
InChIKeyIKDHLZGJVRAVTG-UHFFFAOYSA-N
XLogP0.09
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol (CID 170040454) is [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol is Nc1ccc(N2CC(CO)C2)cn1.
What is the InChIKey of [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol?
The InChIKey is IKDHLZGJVRAVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9-2-1-8(3-11-9)12-4-7(5-12)6-13/h1-3,7,13H,4-6H2,(H2,10,11).
What are the key properties of [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol?
[1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol has a molecular weight of 179.22 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-3-pyridinyl)azetidin-3-yl]methanol is sourced from PubChem (CID 170040454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).