2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol

C17H24N4O — CID 163401681

IUPAC2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol
SMILESCCCN(CC(C)C)c1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C17H24N4O/c1-4-9-21(11-12(2)3)15-10-14(19-20-17(15)18)13-7-5-6-8-16(13)22/h5-8,10,12,22H,4,9,11H2,1-3H3,(H2,18,20)
InChIKeyJBSWQBFBPJYBAW-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.30
Rot. Bonds6

About 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol

2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol (PubChem CID 163401681) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol
PubChem CID163401681
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol
SMILESCCCN(CC(C)C)c1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C17H24N4O/c1-4-9-21(11-12(2)3)15-10-14(19-20-17(15)18)13-7-5-6-8-16(13)22/h5-8,10,12,22H,4,9,11H2,1-3H3,(H2,18,20)
InChIKeyJBSWQBFBPJYBAW-UHFFFAOYSA-N
XLogP3.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol (CID 163401681) is 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol is CCCN(CC(C)C)c1cc(-c2ccccc2O)nnc1N.
What is the InChIKey of 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol?
The InChIKey is JBSWQBFBPJYBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-9-21(11-12(2)3)15-10-14(19-20-17(15)18)13-7-5-6-8-16(13)22/h5-8,10,12,22H,4,9,11H2,1-3H3,(H2,18,20).
What are the key properties of 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol?
2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol has a molecular weight of 300.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol is sourced from PubChem (CID 163401681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).