6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine

C21H18F2N6O2 — CID 158780222

IUPAC6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine
SMILESCOc1nnc(-c2c(F)cccc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C21H18F2N6O2/c1-29-11-24-20(28-29)12-6-4-9-15(19(12)30-2)25-17-10-16(26-27-21(17)31-3)18-13(22)7-5-8-14(18)23/h4-11H,1-3H3,(H,25,26)
InChIKeyCSCYISMXBYHYFR-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.98
Rot. Bonds6

About 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine

6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine (PubChem CID 158780222) has the molecular formula C21H18F2N6O2 and a molecular weight of 424.41 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine
PubChem CID158780222
Molecular FormulaC21H18F2N6O2
Molecular Weight424.41 g/mol
Exact Mass424.15
IUPAC Name6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine
SMILESCOc1nnc(-c2c(F)cccc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C21H18F2N6O2/c1-29-11-24-20(28-29)12-6-4-9-15(19(12)30-2)25-17-10-16(26-27-21(17)31-3)18-13(22)7-5-8-14(18)23/h4-11H,1-3H3,(H,25,26)
InChIKeyCSCYISMXBYHYFR-UHFFFAOYSA-N
XLogP3.98
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(cycloprop-2-ene-1-carbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxylic acid
CID 163765686
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridine-3-carbohydrazide
CID 134439018
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 159808982
[2-(2,4-difluoroanilino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-5-yl] formate
CID 171437404
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(3-methyl-2-oxoimidazol-1-yl)pyridazine-3-carboxamide
CID 162120099
6-(1-carbamoylcyclopropyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxylic acid;zinc
CID 170438089
1-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-[(1-methylpyrazol-3-yl)amino]-3-pyridinyl]ethanone
CID 166798851
5-chloro-2-(difluoromethyl)-3-iodophosphanyl-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]imidazo[4,5-b]pyridin-7-amine;ethane
CID 142334704
1-[6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-3-pyridinyl]-3-methylbutan-1-one
CID 175174540
4-[[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 171436833
5-(cyclopropanecarbonylamino)-6-fluoro-3-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 167316505

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine?
The IUPAC name of 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine (CID 158780222) is 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine.
What is the SMILES notation for 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine?
The canonical SMILES for 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine is COc1nnc(-c2c(F)cccc2F)cc1Nc1cccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine?
The InChIKey is CSCYISMXBYHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6O2/c1-29-11-24-20(28-29)12-6-4-9-15(19(12)30-2)25-17-10-16(26-27-21(17)31-3)18-13(22)7-5-8-14(18)23/h4-11H,1-3H3,(H,25,26).
What are the key properties of 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine?
6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine has a molecular weight of 424.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-3-methoxy-N-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)phenyl]pyridazin-4-amine is sourced from PubChem (CID 158780222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).