5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine

C20H18F3N5O — CID 169200929

IUPAC5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine
SMILESFC(F)(F)C1CN(c2cc(Nc3cc(-c4ccccc4)cnn3)ccn2)CCO1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)17-13-28(8-9-29-17)19-11-16(6-7-24-19)26-18-10-15(12-25-27-18)14-4-2-1-3-5-14/h1-7,10-12,17H,8-9,13H2,(H,24,26,27)
InChIKeyHNNOSISLLZOVEX-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.05
Rot. Bonds4

About 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine

5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine (PubChem CID 169200929) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine.

Molecular Properties

Compound Name5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine
PubChem CID169200929
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine
SMILESFC(F)(F)C1CN(c2cc(Nc3cc(-c4ccccc4)cnn3)ccn2)CCO1
InChIInChI=1S/C20H18F3N5O/c21-20(22,23)17-13-28(8-9-29-17)19-11-16(6-7-24-19)26-18-10-15(12-25-27-18)14-4-2-1-3-5-14/h1-7,10-12,17H,8-9,13H2,(H,24,26,27)
InChIKeyHNNOSISLLZOVEX-UHFFFAOYSA-N
XLogP4.05
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-yl-4-pyridinyl)pyridazin-3-amine
CID 169200912
4-(4-methylquinolin-2-yl)-2-(trifluoromethyl)morpholine
CID 56868973
(2R)-4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
CID 95463966
(2R)-4-(4-phenyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)morpholine
CID 95555777
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]pyrimidin-4-amine
CID 169200837
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylic acid
CID 95525298
methyl 6-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543397
methyl 6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 95543398
2-(trifluoromethyl)-4-[8-(trifluoromethyl)quinolin-4-yl]morpholine
CID 56881153
2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 95463386
(2S)-4-(2-methylquinolin-4-yl)-2-(trifluoromethyl)morpholine
CID 95556392
2-[4-methyl-6-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-yl]phenol
CID 136858370

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine?
The IUPAC name of 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine (CID 169200929) is 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine.
What is the SMILES notation for 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine?
The canonical SMILES for 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine is FC(F)(F)C1CN(c2cc(Nc3cc(-c4ccccc4)cnn3)ccn2)CCO1.
What is the InChIKey of 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine?
The InChIKey is HNNOSISLLZOVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c21-20(22,23)17-13-28(8-9-29-17)19-11-16(6-7-24-19)26-18-10-15(12-25-27-18)14-4-2-1-3-5-14/h1-7,10-12,17H,8-9,13H2,(H,24,26,27).
What are the key properties of 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine?
5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine has a molecular weight of 401.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[2-[2-(trifluoromethyl)morpholin-4-yl]-4-pyridinyl]pyridazin-3-amine is sourced from PubChem (CID 169200929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).