3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine

C17H20FN5 — CID 86696356

IUPAC3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine
SMILESCCCCNc1ccc2ncc(-c3ccc(CN)c(F)c3)n2n1
InChIInChI=1S/C17H20FN5/c1-2-3-8-20-16-6-7-17-21-11-15(23(17)22-16)12-4-5-13(10-19)14(18)9-12/h4-7,9,11H,2-3,8,10,19H2,1H3,(H,20,22)
InChIKeyMUVWAVYEDGKVFD-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.21
Rot. Bonds6

About 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine

3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 86696356) has the molecular formula C17H20FN5 and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine
PubChem CID86696356
Molecular FormulaC17H20FN5
Molecular Weight313.38 g/mol
Exact Mass313.17
IUPAC Name3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine
SMILESCCCCNc1ccc2ncc(-c3ccc(CN)c(F)c3)n2n1
InChIInChI=1S/C17H20FN5/c1-2-3-8-20-16-6-7-17-21-11-15(23(17)22-16)12-4-5-13(10-19)14(18)9-12/h4-7,9,11H,2-3,8,10,19H2,1H3,(H,20,22)
InChIKeyMUVWAVYEDGKVFD-UHFFFAOYSA-N
XLogP3.21
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(butylamino)imidazo[1,2-b]pyridazin-3-yl]-3-fluorobenzaldehyde
CID 86696346
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
N-butyl-3-[4-(pyrrolidin-1-ylmethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;2,2,2-trifluoroacetic acid
CID 161267175
methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 126475878
N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 140905268
N-[(2,4-difluorophenyl)methyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylimidazo[1,2-b]pyridazin-6-amine
CID 161326026
3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine
CID 25104179
3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
CID 90388471
3-[3-(aminomethyl)phenyl]-N-[(4-fluorophenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126475815
N-[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]-N',N'-dimethylethane-1,2-diamine
CID 24997044
1-[5-[6-(3-fluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
CID 86696331
3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857576

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine (CID 86696356) is 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine is CCCCNc1ccc2ncc(-c3ccc(CN)c(F)c3)n2n1.
What is the InChIKey of 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MUVWAVYEDGKVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5/c1-2-3-8-20-16-6-7-17-21-11-15(23(17)22-16)12-4-5-13(10-19)14(18)9-12/h4-7,9,11H,2-3,8,10,19H2,1H3,(H,20,22).
What are the key properties of 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine?
3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 313.38 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 86696356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).