4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one

C16H14ClN3OS — CID 9109290

IUPAC4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
SMILESC[C@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccs1
InChIInChI=1S/C16H14ClN3OS/c1-11(14-8-5-9-22-14)19-13-10-18-20(16(21)15(13)17)12-6-3-2-4-7-12/h2-11,19H,1H3/t11-/m0/s1
InChIKeyNXDSYIRTSOXKSM-NSHDSACASA-N
MW331.83 g/mol
LogP4.12
Rot. Bonds4

About 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one

4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one (PubChem CID 9109290) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
PubChem CID9109290
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one
SMILESC[C@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccs1
InChIInChI=1S/C16H14ClN3OS/c1-11(14-8-5-9-22-14)19-13-10-18-20(16(21)15(13)17)12-6-3-2-4-7-12/h2-11,19H,1H3/t11-/m0/s1
InChIKeyNXDSYIRTSOXKSM-NSHDSACASA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(1-thiophen-2-ylethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114433374
4-chloro-2-phenyl-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]pyridazin-3-one
CID 78805465
4-chloro-5-(2-methylhydrazinyl)-2-phenylpyridazin-3-one
CID 24998005
4-chloro-5-[[(2S)-1-hydroxybutan-2-yl]amino]-2-phenylpyridazin-3-one
CID 133434585
4-chloro-2-methyl-5-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridazin-3-one
CID 114417786
5-[[(1R)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]amino]-4-chloro-2-(4-chlorophenyl)pyridazin-3-one
CID 99804901
4-chloro-5-[[(2S)-4-(furan-2-yl)butan-2-yl]amino]-2-phenylpyridazin-3-one
CID 9340704
CID 72701644
CID 72701644
4-bromo-5-(1-thiophen-2-ylethylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114433376
ethyl 2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetate
CID 15152626
4-chloro-5-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-(4-nitrophenyl)pyridazin-3-one
CID 99801693
2-[(5-chloro-6-oxo-1-phenylpyridazin-4-yl)amino]acetamide
CID 8567196

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one (CID 9109290) is 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one is C[C@H](Nc1cnn(-c2ccccc2)c(=O)c1Cl)c1cccs1.
What is the InChIKey of 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one?
The InChIKey is NXDSYIRTSOXKSM-NSHDSACASA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-11(14-8-5-9-22-14)19-13-10-18-20(16(21)15(13)17)12-6-3-2-4-7-12/h2-11,19H,1H3/t11-/m0/s1.
What are the key properties of 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one?
4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one has a molecular weight of 331.83 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[[(1S)-1-thiophen-2-ylethyl]amino]pyridazin-3-one is sourced from PubChem (CID 9109290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).