3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine

C19H16FN5O2 — CID 23609043

IUPAC3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine
SMILESCOc1ccc(Oc2nnc(C)c3nnn(Cc4ccc(F)cc4)c23)cc1
InChIInChI=1S/C19H16FN5O2/c1-12-17-18(25(24-22-17)11-13-3-5-14(20)6-4-13)19(23-21-12)27-16-9-7-15(26-2)8-10-16/h3-10H,11H2,1-2H3
InChIKeyZLFMKXOMJBTTEO-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.52
Rot. Bonds5

About 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine

3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine (PubChem CID 23609043) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine
PubChem CID23609043
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine
SMILESCOc1ccc(Oc2nnc(C)c3nnn(Cc4ccc(F)cc4)c23)cc1
InChIInChI=1S/C19H16FN5O2/c1-12-17-18(25(24-22-17)11-13-3-5-14(20)6-4-13)19(23-21-12)27-16-9-7-15(26-2)8-10-16/h3-10H,11H2,1-2H3
InChIKeyZLFMKXOMJBTTEO-UHFFFAOYSA-N
XLogP3.52
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine (CID 23609043) is 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine is COc1ccc(Oc2nnc(C)c3nnn(Cc4ccc(F)cc4)c23)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine?
The InChIKey is ZLFMKXOMJBTTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c1-12-17-18(25(24-22-17)11-13-3-5-14(20)6-4-13)19(23-21-12)27-16-9-7-15(26-2)8-10-16/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine?
3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine has a molecular weight of 365.37 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-4-(4-methoxyphenoxy)-7-methyltriazolo[4,5-d]pyridazine is sourced from PubChem (CID 23609043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).