[6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol

C14H25N3O — CID 79483563

IUPAC[6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol
SMILESCCC(CC)N(CC(C)C)c1ccc(CO)nn1
InChIInChI=1S/C14H25N3O/c1-5-13(6-2)17(9-11(3)4)14-8-7-12(10-18)15-16-14/h7-8,11,13,18H,5-6,9-10H2,1-4H3
InChIKeyAZSGJIOHHFYCBH-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.62
Rot. Bonds7

About [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol

[6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol (PubChem CID 79483563) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol
PubChem CID79483563
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol
SMILESCCC(CC)N(CC(C)C)c1ccc(CO)nn1
InChIInChI=1S/C14H25N3O/c1-5-13(6-2)17(9-11(3)4)14-8-7-12(10-18)15-16-14/h7-8,11,13,18H,5-6,9-10H2,1-4H3
InChIKeyAZSGJIOHHFYCBH-UHFFFAOYSA-N
XLogP2.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol?
The IUPAC name of [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol (CID 79483563) is [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol.
What is the SMILES notation for [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol?
The canonical SMILES for [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol is CCC(CC)N(CC(C)C)c1ccc(CO)nn1.
What is the InChIKey of [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol?
The InChIKey is AZSGJIOHHFYCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-13(6-2)17(9-11(3)4)14-8-7-12(10-18)15-16-14/h7-8,11,13,18H,5-6,9-10H2,1-4H3.
What are the key properties of [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol?
[6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol has a molecular weight of 251.37 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-methylpropyl(pentan-3-yl)amino]pyridazin-3-yl]methanol is sourced from PubChem (CID 79483563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).