2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide

C16H19ClN5O2+ — CID 9445658

IUPAC2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide
SMILESNC(=O)C[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C16H18ClN5O2/c17-15-13(21-8-6-20(7-9-21)11-14(18)23)10-19-22(16(15)24)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,18,23)/p+1
InChIKeyJCMUAZHGMKWSJI-UHFFFAOYSA-O
MW348.81 g/mol
LogP-0.92
Rot. Bonds4

About 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide

2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide (PubChem CID 9445658) has the molecular formula C16H19ClN5O2+ and a molecular weight of 348.81 g/mol. Its IUPAC name is 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide
PubChem CID9445658
Molecular FormulaC16H19ClN5O2+
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide
SMILESNC(=O)C[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C16H18ClN5O2/c17-15-13(21-8-6-20(7-9-21)11-14(18)23)10-19-22(16(15)24)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,18,23)/p+1
InChIKeyJCMUAZHGMKWSJI-UHFFFAOYSA-O
XLogP-0.92
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide
CID 9338030
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 9445704
4-chloro-5-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-phenylpyridazin-3-one
CID 9172516
ethyl 1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidine-4-carboxylate
CID 9280161
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 9206668
4-chloro-5-[4-(4-methylpentanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26699737
4-chloro-5-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26690054
N-carbamoyl-2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 55361610
4-[1-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444206
4-chloro-2-phenyl-5-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridazin-3-one
CID 133317828
4-chloro-5-(4-ethoxypiperidin-1-yl)-2-phenylpyridazin-3-one
CID 133271354
4-chloro-5-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenylpyridazin-3-one
CID 46529673

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide (CID 9445658) is 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide is NC(=O)C[NH+]1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is JCMUAZHGMKWSJI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18ClN5O2/c17-15-13(21-8-6-20(7-9-21)11-14(18)23)10-19-22(16(15)24)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H2,18,23)/p+1.
What are the key properties of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide?
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 348.81 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9445658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).