[6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone

C17H17F3N4O2 — CID 56959915

IUPAC[6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(Nc2cc(C(F)(F)F)c(C(=O)N3CCOCC3)nn2)c1
InChIInChI=1S/C17H17F3N4O2/c1-11-3-2-4-12(9-11)21-14-10-13(17(18,19)20)15(23-22-14)16(25)24-5-7-26-8-6-24/h2-4,9-10H,5-8H2,1H3,(H,21,22)
InChIKeyFUFXAECZUOSEOJ-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.02
Rot. Bonds3

About [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone

[6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56959915) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone
PubChem CID56959915
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name[6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(Nc2cc(C(F)(F)F)c(C(=O)N3CCOCC3)nn2)c1
InChIInChI=1S/C17H17F3N4O2/c1-11-3-2-4-12(9-11)21-14-10-13(17(18,19)20)15(23-22-14)16(25)24-5-7-26-8-6-24/h2-4,9-10H,5-8H2,1H3,(H,21,22)
InChIKeyFUFXAECZUOSEOJ-UHFFFAOYSA-N
XLogP3.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108959884
[6-(3-methylanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113392
morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109114740
(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
CID 109116683
[5-methyl-2-(3-methylphenyl)triazol-4-yl]-morpholin-4-ylmethanone
CID 50849333
1-(3-methylphenyl)-3-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)phenyl]propan-2-one
CID 157123651
[5-[4-chloro-3-(trifluoromethyl)anilino]pyrazin-2-yl]-morpholin-4-ylmethanone
CID 109276545
[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109184685
[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-morpholin-4-ylmethanone
CID 100779117
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795

Frequently Asked Questions

What is the IUPAC name of [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone (CID 56959915) is [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone is Cc1cccc(Nc2cc(C(F)(F)F)c(C(=O)N3CCOCC3)nn2)c1.
What is the InChIKey of [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FUFXAECZUOSEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-11-3-2-4-12(9-11)21-14-10-13(17(18,19)20)15(23-22-14)16(25)24-5-7-26-8-6-24/h2-4,9-10H,5-8H2,1H3,(H,21,22).
What are the key properties of [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone?
[6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 366.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56959915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).