6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one

C15H14F3N3O2 — CID 139006620

IUPAC6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESCOc1ccc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cn1
InChIInChI=1S/C15H14F3N3O2/c1-23-13-5-2-9(7-19-13)8-21-14(22)11(15(16,17)18)6-12(20-21)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3
InChIKeyWQWBQIZBTNQFPM-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.59
Rot. Bonds4

About 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one

6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 139006620) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
PubChem CID139006620
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESCOc1ccc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cn1
InChIInChI=1S/C15H14F3N3O2/c1-23-13-5-2-9(7-19-13)8-21-14(22)11(15(16,17)18)6-12(20-21)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3
InChIKeyWQWBQIZBTNQFPM-UHFFFAOYSA-N
XLogP2.59
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 55874406
6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 71890692
2-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridazin-3-one
CID 55876066
6-cyclopropyl-2-[(2-methyl-3-nitrophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 71890702
1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 55140549
6-cyclopropyl-2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 55875677
3-bromo-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 63789999
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875175
6-cyclopropyl-4-(trifluoromethyl)-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyridazin-3-one
CID 56820117
1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
CID 62992277
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one (CID 139006620) is 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one is COc1ccc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cn1.
What is the InChIKey of 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is WQWBQIZBTNQFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-23-13-5-2-9(7-19-13)8-21-14(22)11(15(16,17)18)6-12(20-21)10-3-4-10/h2,5-7,10H,3-4,8H2,1H3.
What are the key properties of 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 325.29 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(6-methoxy-3-pyridinyl)methyl]-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 139006620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).