2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one

C14H16FN3O — CID 18717236

IUPAC2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one
SMILESCc1cnc(-n2ncc(C(C)F)c(C)c2=O)c(C)c1
InChIInChI=1S/C14H16FN3O/c1-8-5-9(2)13(16-6-8)18-14(19)10(3)12(7-17-18)11(4)15/h5-7,11H,1-4H3
InChIKeyUOYOUSOSFSOHNI-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.58
Rot. Bonds2

About 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one

2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one (PubChem CID 18717236) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one
PubChem CID18717236
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one
SMILESCc1cnc(-n2ncc(C(C)F)c(C)c2=O)c(C)c1
InChIInChI=1S/C14H16FN3O/c1-8-5-9(2)13(16-6-8)18-14(19)10(3)12(7-17-18)11(4)15/h5-7,11H,1-4H3
InChIKeyUOYOUSOSFSOHNI-UHFFFAOYSA-N
XLogP2.58
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(pyridin-2-yl)-4,5-dihydro-1H-pyrazol-5-one
CID 667652
4,5-Dichloro-2-(5-(trifluoromethyl)pyridin-2-yl)pyridazin-3(2H)-one
CID 7064019
(4Z)-4-[[4-(diethylamino)phenyl]methylidene]-5-methyl-2-pyridin-2-ylpyrazol-3-one
CID 25098413
1,8-Naphthyridin-2(1H)-one, 3-methyl-1-(3-methylbutyl)-
CID 3073166
N-(5-Iodo-3-methylpyridin-2-yl)-2,2-dimethylpropanamide
CID 977179
3-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]-4,5-dihydro-1H-pyrazol-5-one
CID 1040275
5-Isopropyl-3-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazol-2(3H)-one
CID 611904
1-[2-(Dimethylamino)ethyl]-1,8-naphthyridin-2-one
CID 12674178
3-(Tert-butyl)-1-(2-pyridyl)-2-pyrazolin-5-one
CID 20788335
1-[2-(Dimethylamino)ethyl]-6-methyl-1,8-naphthyridin-2-one
CID 22753553
5-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyrazol-3-one
CID 66020846
5-methyl-2-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-3-one
CID 176119614

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one?
The IUPAC name of 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one (CID 18717236) is 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one.
What is the SMILES notation for 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one?
The canonical SMILES for 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one is Cc1cnc(-n2ncc(C(C)F)c(C)c2=O)c(C)c1.
What is the InChIKey of 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one?
The InChIKey is UOYOUSOSFSOHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-8-5-9(2)13(16-6-8)18-14(19)10(3)12(7-17-18)11(4)15/h5-7,11H,1-4H3.
What are the key properties of 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one?
2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one has a molecular weight of 261.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-pyridinyl)-5-(1-fluoroethyl)-4-methylpyridazin-3-one is sourced from PubChem (CID 18717236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).