4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

C15H16N4O — CID 135923088

IUPAC4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCCCNc1ccc2ncc(-c3ccc(O)cc3)n2n1
InChIInChI=1S/C15H16N4O/c1-2-9-16-14-7-8-15-17-10-13(19(15)18-14)11-3-5-12(20)6-4-11/h3-8,10,20H,2,9H2,1H3,(H,16,18)
InChIKeyHMTRPWNXLFLPIP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.92
Rot. Bonds4

About 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 135923088) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID135923088
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESCCCNc1ccc2ncc(-c3ccc(O)cc3)n2n1
InChIInChI=1S/C15H16N4O/c1-2-9-16-14-7-8-15-17-10-13(19(15)18-14)11-3-5-12(20)6-4-11/h3-8,10,20H,2,9H2,1H3,(H,16,18)
InChIKeyHMTRPWNXLFLPIP-UHFFFAOYSA-N
XLogP2.92
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 126475878
3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine
CID 86696356
N',N'-dimethyl-N-[3-(4-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]ethane-1,2-diamine
CID 69146622
3-[1-(oxan-2-yl)indazol-5-yl]-N-propylimidazo[1,2-b]pyridazin-6-amine
CID 118703524
4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923073
N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453652
3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 143711795
N-butyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;2,2,2-trifluoroacetic acid
CID 161267175
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 24997044
3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
CID 90388471
4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 122179540
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857801

Frequently Asked Questions

What is the IUPAC name of 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 135923088) is 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is CCCNc1ccc2ncc(-c3ccc(O)cc3)n2n1.
What is the InChIKey of 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is HMTRPWNXLFLPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-9-16-14-7-8-15-17-10-13(19(15)18-14)11-3-5-12(20)6-4-11/h3-8,10,20H,2,9H2,1H3,(H,16,18).
What are the key properties of 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 268.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 135923088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).