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

C17H17ClN6O — CID 133306124

IUPAC4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(n3cncn3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C17H17ClN6O/c18-16-15(10-20-24(17(16)25)14-4-2-1-3-5-14)22-8-6-13(7-9-22)23-12-19-11-21-23/h1-5,10-13H,6-9H2
InChIKeyDJPJSDPAGRWESQ-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.32
Rot. Bonds3

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

4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one (PubChem CID 133306124) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
PubChem CID133306124
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCC(n3cncn3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C17H17ClN6O/c18-16-15(10-20-24(17(16)25)14-4-2-1-3-5-14)22-8-6-13(7-9-22)23-12-19-11-21-23/h1-5,10-13H,6-9H2
InChIKeyDJPJSDPAGRWESQ-UHFFFAOYSA-N
XLogP2.32
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-benzyl-4-chloro-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one
CID 133306094
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 46529673
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161
4-chloro-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133453106
4-chloro-5-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-phenylpyridazin-3-one
CID 26451386
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide
CID 9445658
4-chloro-2-phenyl-5-(3-prop-2-enoxypyrrolidin-1-yl)pyridazin-3-one
CID 133465286
4-chloro-5-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 133313381
4-chloro-5-[4-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 133338550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one (CID 133306124) is 4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one is O=c1c(Cl)c(N2CCC(n3cncn3)CC2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is DJPJSDPAGRWESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c18-16-15(10-20-24(17(16)25)14-4-2-1-3-5-14)22-8-6-13(7-9-22)23-12-19-11-21-23/h1-5,10-13H,6-9H2.
What are the key properties of 4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one?
4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 356.82 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133306124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).