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

C19H23FN4O — CID 138472106

IUPAC5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2C2CC2)CC1
InChIInChI=1S/C19H23FN4O/c1-13-10-16(20)5-4-15(13)12-23-6-8-24(9-7-23)17-11-21-22-19(25)18(17)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3,(H,22,25)
InChIKeyGPVYLCIPCBJTKE-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.42
Rot. Bonds4

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

5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138472106) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138472106
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESCc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2C2CC2)CC1
InChIInChI=1S/C19H23FN4O/c1-13-10-16(20)5-4-15(13)12-23-6-8-24(9-7-23)17-11-21-22-19(25)18(17)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3,(H,22,25)
InChIKeyGPVYLCIPCBJTKE-UHFFFAOYSA-N
XLogP2.42
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138472106) is 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is Cc1cc(F)ccc1CN1CCN(c2cn[nH]c(=O)c2C2CC2)CC1.
What is the InChIKey of 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is GPVYLCIPCBJTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-10-16(20)5-4-15(13)12-23-6-8-24(9-7-23)17-11-21-22-19(25)18(17)14-2-3-14/h4-5,10-11,14H,2-3,6-9,12H2,1H3,(H,22,25).
What are the key properties of 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 342.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[4-[(4-fluoro-2-methylphenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138472106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).