[1-(pyridazin-3-ylamino)cyclobutyl]methanol

C9H13N3O — CID 115731876

IUPAC[1-(pyridazin-3-ylamino)cyclobutyl]methanol
SMILESOCC1(Nc2cccnn2)CCC1
InChIInChI=1S/C9H13N3O/c13-7-9(4-2-5-9)11-8-3-1-6-10-12-8/h1,3,6,13H,2,4-5,7H2,(H,11,12)
InChIKeyHJVSSAJHTPLYGK-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.80
Rot. Bonds3

About [1-(pyridazin-3-ylamino)cyclobutyl]methanol

[1-(pyridazin-3-ylamino)cyclobutyl]methanol (PubChem CID 115731876) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [1-(pyridazin-3-ylamino)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(pyridazin-3-ylamino)cyclobutyl]methanol
PubChem CID115731876
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[1-(pyridazin-3-ylamino)cyclobutyl]methanol
SMILESOCC1(Nc2cccnn2)CCC1
InChIInChI=1S/C9H13N3O/c13-7-9(4-2-5-9)11-8-3-1-6-10-12-8/h1,3,6,13H,2,4-5,7H2,(H,11,12)
InChIKeyHJVSSAJHTPLYGK-UHFFFAOYSA-N
XLogP0.80
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(pyridazin-3-ylamino)cyclobutyl]methanol?
The IUPAC name of [1-(pyridazin-3-ylamino)cyclobutyl]methanol (CID 115731876) is [1-(pyridazin-3-ylamino)cyclobutyl]methanol.
What is the SMILES notation for [1-(pyridazin-3-ylamino)cyclobutyl]methanol?
The canonical SMILES for [1-(pyridazin-3-ylamino)cyclobutyl]methanol is OCC1(Nc2cccnn2)CCC1.
What is the InChIKey of [1-(pyridazin-3-ylamino)cyclobutyl]methanol?
The InChIKey is HJVSSAJHTPLYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-7-9(4-2-5-9)11-8-3-1-6-10-12-8/h1,3,6,13H,2,4-5,7H2,(H,11,12).
What are the key properties of [1-(pyridazin-3-ylamino)cyclobutyl]methanol?
[1-(pyridazin-3-ylamino)cyclobutyl]methanol has a molecular weight of 179.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridazin-3-ylamino)cyclobutyl]methanol is sourced from PubChem (CID 115731876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).