3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one

C19H25FN4O — CID 138483620

IUPAC3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C)c1N1CCN(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C19H25FN4O/c1-4-17-18(14(3)19(25)22-21-17)24-9-7-23(8-10-24)12-15-5-6-16(20)11-13(15)2/h5-6,11H,4,7-10,12H2,1-3H3,(H,22,25)
InChIKeyXZCBMQRVGDSJBJ-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.41
Rot. Bonds4

About 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one

3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one (PubChem CID 138483620) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one
PubChem CID138483620
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one
SMILESCCc1n[nH]c(=O)c(C)c1N1CCN(Cc2ccc(F)cc2C)CC1
InChIInChI=1S/C19H25FN4O/c1-4-17-18(14(3)19(25)22-21-17)24-9-7-23(8-10-24)12-15-5-6-16(20)11-13(15)2/h5-6,11H,4,7-10,12H2,1-3H3,(H,22,25)
InChIKeyXZCBMQRVGDSJBJ-UHFFFAOYSA-N
XLogP2.41
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one with MolForge

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Related Compounds

3-bromo-4-chloro-5-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138472018
1-[(2,5-difluorophenyl)methyl]-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine
CID 90507456
4-chloro-1-[(4-fluoro-2-methylphenyl)methyl]piperidine
CID 114349079
1-(2-chloroethyl)-4-[(4-fluoro-2-methylphenyl)methyl]-1,4-diazepane
CID 114349093
2-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]butanethioamide
CID 114345948
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
potassium;carbanide;5-chloro-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one;5-chloro-4-piperidin-1-yl-1H-pyridazin-6-one;5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 164975779
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198
1-[1-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 114345610
4-(chloromethyl)-3,5-diethyl-1-[(4-fluoro-2-methylphenyl)methyl]pyrazole
CID 114349051
1-[(4-fluoro-2-methylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 114349688
1-[(2,4-difluorophenyl)methyl]-4-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 171334559

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one (CID 138483620) is 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one is CCc1n[nH]c(=O)c(C)c1N1CCN(Cc2ccc(F)cc2C)CC1.
What is the InChIKey of 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one?
The InChIKey is XZCBMQRVGDSJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-4-17-18(14(3)19(25)22-21-17)24-9-7-23(8-10-24)12-15-5-6-16(20)11-13(15)2/h5-6,11H,4,7-10,12H2,1-3H3,(H,22,25).
What are the key properties of 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one?
3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one has a molecular weight of 344.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 138483620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).