4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine

C10H12F3N3O — CID 56864534

IUPAC4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
SMILESCc1ccc(N2CCOC(C(F)(F)F)C2)nn1
InChIInChI=1S/C10H12F3N3O/c1-7-2-3-9(15-14-7)16-4-5-17-8(6-16)10(11,12)13/h2-3,8H,4-6H2,1H3
InChIKeyPDWDQTWYBHYQRE-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.55
Rot. Bonds1

About 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine

4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56864534) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
PubChem CID56864534
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
SMILESCc1ccc(N2CCOC(C(F)(F)F)C2)nn1
InChIInChI=1S/C10H12F3N3O/c1-7-2-3-9(15-14-7)16-4-5-17-8(6-16)10(11,12)13/h2-3,8H,4-6H2,1H3
InChIKeyPDWDQTWYBHYQRE-UHFFFAOYSA-N
XLogP1.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[3-(Trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
CID 46226083
4-[6-[2-(Trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
CID 46226069
4-(6-Phenylpyridazin-3-yl)morpholine
CID 24784339
4-[6-(4-Fluorophenyl)pyridazin-3-yl]morpholine
CID 71528374
N-(2,5-Dimethyl-1H-pyrrol-1-yl)-N-methyl-6-morpholino-3-pyridazineamine
CID 23275685
(4aR,7aS)-6-(cyclopropylmethyl)-4-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97377511
(4aR,7aS)-4-(cyclopropylmethyl)-6-(6-methylpyridazin-3-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97402785
N,N,2-trimethyl-4-(6-methylpyridazin-3-yl)morpholine-2-carboxamide
CID 110269119
2-[6,6-Difluoro-2-(6-methylpyridazin-3-yl)-2,9-diazaspiro[4.5]decan-9-yl]ethanol
CID 118744563
4-(6-Phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
CID 56876445
4-[1-[6-(Trifluoromethyl)pyridazin-3-yl]azetidin-3-yl]sulfonylmorpholine
CID 75474267
(3S)-1-(6-methylpyridazin-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129354000

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine (CID 56864534) is 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine is Cc1ccc(N2CCOC(C(F)(F)F)C2)nn1.
What is the InChIKey of 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is PDWDQTWYBHYQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-7-2-3-9(15-14-7)16-4-5-17-8(6-16)10(11,12)13/h2-3,8H,4-6H2,1H3.
What are the key properties of 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine?
4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 247.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyridazin-3-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56864534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).