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

C19H16FN5O — CID 122175945

IUPAC3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CNc1ccc2nnc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C19H16FN5O/c1-26-16-5-3-2-4-14(16)12-21-17-10-11-18-22-23-19(25(18)24-17)13-6-8-15(20)9-7-13/h2-11H,12H2,1H3,(H,21,24)
InChIKeyILIUIJWWPBIZPL-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.55
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 122175945) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID122175945
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccccc1CNc1ccc2nnc(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C19H16FN5O/c1-26-16-5-3-2-4-14(16)12-21-17-10-11-18-22-23-19(25(18)24-17)13-6-8-15(20)9-7-13/h2-11H,12H2,1H3,(H,21,24)
InChIKeyILIUIJWWPBIZPL-UHFFFAOYSA-N
XLogP3.55
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 122175945) is 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccccc1CNc1ccc2nnc(-c3ccc(F)cc3)n2n1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ILIUIJWWPBIZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-26-16-5-3-2-4-14(16)12-21-17-10-11-18-22-23-19(25(18)24-17)13-6-8-15(20)9-7-13/h2-11H,12H2,1H3,(H,21,24).
What are the key properties of 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 349.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 122175945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).