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

C12H10FN5O — CID 11777320

IUPACN-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCOc1ccc2nnc(Nc3cccc(F)c3)n2n1
InChIInChI=1S/C12H10FN5O/c1-19-11-6-5-10-15-16-12(18(10)17-11)14-9-4-2-3-8(13)7-9/h2-7H,1H3,(H,14,16)
InChIKeyHRQASJHRVYOKQF-UHFFFAOYSA-N
MW259.24 g/mol
LogP2.02
Rot. Bonds3

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

N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 11777320) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID11777320
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC NameN-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCOc1ccc2nnc(Nc3cccc(F)c3)n2n1
InChIInChI=1S/C12H10FN5O/c1-19-11-6-5-10-15-16-12(18(10)17-11)14-9-4-2-3-8(13)7-9/h2-7H,1H3,(H,14,16)
InChIKeyHRQASJHRVYOKQF-UHFFFAOYSA-N
XLogP2.02
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 11724379
5-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 82537168
methyl 2-(3-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423227
N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
CID 170970463
3-fluoro-N-(3-fluorophenyl)-2-methoxyaniline
CID 175464323
3-N-(3-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 63077124
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
methyl 4-(3-fluoroanilino)benzoate
CID 67974249
3-fluoro-N-phenylaniline
CID 2774466
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-diamine
CID 117027175
N-(3-fluorophenyl)-4-methoxy-1-oxo-1,2,5-thiadiazol-3-amine
CID 171984815
6-N-(3-fluorophenyl)-4-N-(2-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878300

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 11777320) is N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is COc1ccc2nnc(Nc3cccc(F)c3)n2n1.
What is the InChIKey of N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is HRQASJHRVYOKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-19-11-6-5-10-15-16-12(18(10)17-11)14-9-4-2-3-8(13)7-9/h2-7H,1H3,(H,14,16).
What are the key properties of N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 259.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 11777320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).