2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one

C18H19ClN6O — CID 133306094

IUPAC2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(n3cncn3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C18H19ClN6O/c19-17-16(23-8-6-15(7-9-23)25-13-20-12-22-25)10-21-24(18(17)26)11-14-4-2-1-3-5-14/h1-5,10,12-13,15H,6-9,11H2
InChIKeyJUOWVUVNMVADCQ-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.38
Rot. Bonds4

About 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one

2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one (PubChem CID 133306094) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
PubChem CID133306094
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(n3cncn3)CC2)cnn1Cc1ccccc1
InChIInChI=1S/C18H19ClN6O/c19-17-16(23-8-6-15(7-9-23)25-13-20-12-22-25)10-21-24(18(17)26)11-14-4-2-1-3-5-14/h1-5,10,12-13,15H,6-9,11H2
InChIKeyJUOWVUVNMVADCQ-UHFFFAOYSA-N
XLogP2.38
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306124
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
2-benzyl-4-chloro-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317765
2-benzyl-4-chloro-5-[4-(2-fluoroanilino)piperidin-1-yl]pyridazin-3-one
CID 133330810
5-(4-benzylpiperazin-1-yl)-4-chloro-2-[(4-fluorophenyl)methyl]pyridazin-3-one
CID 19245547
5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-benzyl-4-chloropyridazin-3-one
CID 133271704
2-benzyl-4-chloro-5-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridazin-3-one
CID 133431658
2-benzyl-4-chloro-5-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyridazin-3-one
CID 133281312
4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(2-fluorophenyl)piperazin-1-yl]pyridazin-3-one
CID 19245533
4-chloro-2-[(4-chlorophenyl)methyl]-5-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-one
CID 19245531
5-(4-benzhydrylpiperazin-1-yl)-4-chloro-2-[(4-chlorophenyl)methyl]pyridazin-3-one
CID 19245535
2-benzyl-4-chloro-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 55346574

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one (CID 133306094) is 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one is O=c1c(Cl)c(N2CCC(n3cncn3)CC2)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is JUOWVUVNMVADCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c19-17-16(23-8-6-15(7-9-23)25-13-20-12-22-25)10-21-24(18(17)26)11-14-4-2-1-3-5-14/h1-5,10,12-13,15H,6-9,11H2.
What are the key properties of 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one?
2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 370.84 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133306094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).