6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

C19H16F2N6O — CID 134516418

IUPAC6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCNc1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)nn2c(C)nnc12
InChIInChI=1S/C19H16F2N6O/c1-10-24-25-19-16(23-2)9-15(26-27(10)19)13-8-12(22)4-6-17(13)28-18-5-3-11(20)7-14(18)21/h3-9,23H,22H2,1-2H3
InChIKeyGOEWIPBSOYNONW-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.79
Rot. Bonds4

About 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine

6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (PubChem CID 134516418) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.

Molecular Properties

Compound Name6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
PubChem CID134516418
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
SMILESCNc1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)nn2c(C)nnc12
InChIInChI=1S/C19H16F2N6O/c1-10-24-25-19-16(23-2)9-15(26-27(10)19)13-8-12(22)4-6-17(13)28-18-5-3-11(20)7-14(18)21/h3-9,23H,22H2,1-2H3
InChIKeyGOEWIPBSOYNONW-UHFFFAOYSA-N
XLogP3.79
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2,4-difluorophenoxy)-5-methylsulfonylphenyl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 134516589
4-(2,4-difluorophenoxy)-3-(8-fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
CID 134516562
N-[4-(2,4-difluorophenoxy)-3-(3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]ethanesulfonamide
CID 134516421
ethyl N-[6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]carbamate
CID 134516299
4-(2,4-difluorophenoxy)-3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-propan-2-ylaniline;propane
CID 142345382
4-(2,4-difluorophenyl)sulfanyl-3-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)aniline
CID 142345342
N-[4-(2,4-difluorophenoxy)-3-[3-methyl-8-(methylamino)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]ethanesulfonamide
CID 155679987
6-[2-(2,4-difluorophenoxy)-5-(ethylsulfanylamino)phenyl]-N-ethyl-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 134516661
4-(2,4-difluorophenoxy)-3-(6-methyl-7H-furo[2,3-c]pyridin-4-yl)aniline
CID 134311520
4-(2,4-difluorophenoxy)-3-[3-(methylamino)-4-pyrrolidin-1-ylcyclopenta-1,4-dien-1-yl]aniline
CID 134311017
4-[5-amino-2-(2,4-difluorophenoxy)phenyl]-1,6-dimethylpyrazolo[5,4-c]pyridin-7-one
CID 134512110
5-[5-amino-2-(2,4-difluorophenoxy)phenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 146524986

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The IUPAC name of 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine (CID 134516418) is 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine.
What is the SMILES notation for 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The canonical SMILES for 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is CNc1cc(-c2cc(N)ccc2Oc2ccc(F)cc2F)nn2c(C)nnc12.
What is the InChIKey of 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
The InChIKey is GOEWIPBSOYNONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-10-24-25-19-16(23-2)9-15(26-27(10)19)13-8-12(22)4-6-17(13)28-18-5-3-11(20)7-14(18)21/h3-9,23H,22H2,1-2H3.
What are the key properties of 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine?
6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine has a molecular weight of 382.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-2-(2,4-difluorophenoxy)phenyl]-N,3-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine is sourced from PubChem (CID 134516418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).