6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one

C14H14F3N5O2 — CID 126938821

IUPAC6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2Nc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C14H14F3N5O2/c1-8-2-3-12(23)22(21-8)10-7-24-6-9(10)19-13-18-5-4-11(20-13)14(15,16)17/h2-5,9-10H,6-7H2,1H3,(H,18,19,20)
InChIKeySFPHCEFWOBBKEZ-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.41
Rot. Bonds3

About 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one

6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one (PubChem CID 126938821) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one
PubChem CID126938821
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one
SMILESCc1ccc(=O)n(C2COCC2Nc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C14H14F3N5O2/c1-8-2-3-12(23)22(21-8)10-7-24-6-9(10)19-13-18-5-4-11(20-13)14(15,16)17/h2-5,9-10H,6-7H2,1H3,(H,18,19,20)
InChIKeySFPHCEFWOBBKEZ-UHFFFAOYSA-N
XLogP1.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one with MolForge

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Related Compounds

N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 36615131
N-(2-methoxyethyl)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47371032
N-(2-methoxyethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 104400059
1-Morpholin-4-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 115599449
N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-3-carboxamide
CID 119708105
2-(2-methoxyethylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide;hydrochloride
CID 119708148
2-(2-methoxyethylamino)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 119708149
2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide;hydrochloride
CID 120990407
2-amino-3-methoxy-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]propanamide
CID 120990408
2-morpholin-3-yl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121719411
2,5-dimethyl-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]morpholine-4-carboxamide
CID 122136045
6-(3-((4-(trifluoromethyl)pyrimidin-2-yl)oxy)piperidine-1-carbonyl)pyridazin-3(2H)-one
CID 122267365

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one (CID 126938821) is 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one is Cc1ccc(=O)n(C2COCC2Nc2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one?
The InChIKey is SFPHCEFWOBBKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c1-8-2-3-12(23)22(21-8)10-7-24-6-9(10)19-13-18-5-4-11(20-13)14(15,16)17/h2-5,9-10H,6-7H2,1H3,(H,18,19,20).
What are the key properties of 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one?
6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one has a molecular weight of 341.29 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126938821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).