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

C18H15N5O2 — CID 11724379

IUPACN-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCOc1ccc(Nc2nnc3ccc(Oc4ccccc4)nn23)cc1
InChIInChI=1S/C18H15N5O2/c1-24-14-9-7-13(8-10-14)19-18-21-20-16-11-12-17(22-23(16)18)25-15-5-3-2-4-6-15/h2-12H,1H3,(H,19,21)
InChIKeyBJAYXAAQGFIYHF-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.67
Rot. Bonds5

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

N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (PubChem CID 11724379) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
PubChem CID11724379
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC NameN-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
SMILESCOc1ccc(Nc2nnc3ccc(Oc4ccccc4)nn23)cc1
InChIInChI=1S/C18H15N5O2/c1-24-14-9-7-13(8-10-14)19-18-21-20-16-11-12-17(22-23(16)18)25-15-5-3-2-4-6-15/h2-12H,1H3,(H,19,21)
InChIKeyBJAYXAAQGFIYHF-UHFFFAOYSA-N
XLogP3.67
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluorophenyl)-6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine
CID 11777320
3-benzyl-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazine
CID 58959666
1-(4-methoxyphenyl)-3-N-(4-phenoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 58975976
3-N-(4-methoxyphenyl)-5-N-(4-phenoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967421
N-(4-methoxyphenyl)-4-phenylaniline
CID 57004376
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
CID 89479958
1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine
CID 106556281
4-methoxy-N-[2-[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]ethyl]benzamide
CID 25283344
4-amino-3-(4-methoxyanilino)-6-[(E)-2-phenylethenyl]-1,2,4-triazin-5-one
CID 56696535
2-[2-[2-(4-methoxyanilino)phenyl]phenyl]-N-(4-methoxyphenyl)aniline
CID 90151027
N-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-amine
CID 12629169

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (CID 11724379) is N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is COc1ccc(Nc2nnc3ccc(Oc4ccccc4)nn23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
The InChIKey is BJAYXAAQGFIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-24-14-9-7-13(8-10-14)19-18-21-20-16-11-12-17(22-23(16)18)25-15-5-3-2-4-6-15/h2-12H,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine?
N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine has a molecular weight of 333.35 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-amine is sourced from PubChem (CID 11724379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).