2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol

C15H14N4O — CID 136597135

IUPAC2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESC=CCNc1ccc2ncc(-c3ccccc3O)n2n1
InChIInChI=1S/C15H14N4O/c1-2-9-16-14-7-8-15-17-10-12(19(15)18-14)11-5-3-4-6-13(11)20/h2-8,10,20H,1,9H2,(H,16,18)
InChIKeyJGUCGOIRPRTJAO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.70
Rot. Bonds4

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

2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (PubChem CID 136597135) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
PubChem CID136597135
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
SMILESC=CCNc1ccc2ncc(-c3ccccc3O)n2n1
InChIInChI=1S/C15H14N4O/c1-2-9-16-14-7-8-15-17-10-12(19(15)18-14)11-5-3-4-6-13(11)20/h2-8,10,20H,1,9H2,(H,16,18)
InChIKeyJGUCGOIRPRTJAO-UHFFFAOYSA-N
XLogP2.70
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57402936
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
3-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 6538769
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
2-Methyl-5-(pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9794758
2-Methyl-5-(5-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-ylamino)-phenol
CID 9859850
2-[(3-Isopropyl-1H-pyrazolo[4,3-d]pyrimidin-7-ylamino)-methyl]-phenol
CID 10062373

Frequently Asked Questions

What is the IUPAC name of 2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol (CID 136597135) is 2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is C=CCNc1ccc2ncc(-c3ccccc3O)n2n1.
What is the InChIKey of 2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
The InChIKey is JGUCGOIRPRTJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-2-9-16-14-7-8-15-17-10-12(19(15)18-14)11-5-3-4-6-13(11)20/h2-8,10,20H,1,9H2,(H,16,18).
What are the key properties of 2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol?
2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol has a molecular weight of 266.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(prop-2-enylamino)imidazo[1,2-b]pyridazin-3-yl]phenol is sourced from PubChem (CID 136597135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).