4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one

C9H6Cl2N2OS — CID 114386429

IUPAC4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccsc1
InChIInChI=1S/C9H6Cl2N2OS/c10-7-3-12-13(9(14)8(7)11)4-6-1-2-15-5-6/h1-3,5H,4H2
InChIKeyFODLHEICLBVPAO-UHFFFAOYSA-N
MW261.13 g/mol
LogP2.66
Rot. Bonds2

About 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one

4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one (PubChem CID 114386429) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one
PubChem CID114386429
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one
SMILESO=c1c(Cl)c(Cl)cnn1Cc1ccsc1
InChIInChI=1S/C9H6Cl2N2OS/c10-7-3-12-13(9(14)8(7)11)4-6-1-2-15-5-6/h1-3,5H,4H2
InChIKeyFODLHEICLBVPAO-UHFFFAOYSA-N
XLogP2.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-2-(thiophen-3-ylmethyl)pyridazin-3-one
CID 114386335
4,5-dichloro-2-(2,3-dihydro-1H-inden-5-ylmethyl)pyridazin-3-one
CID 113236762
2-(bromomethyl)-4,5-dichloropyridazin-3-one
CID 4612286
4,5-dichloro-2-[[3-(methyliminomethyl)phenyl]methyl]pyridazin-3-one
CID 129267608
2-[(2-bromophenyl)methyl]-4,5-dichloropyridazin-3-one
CID 7844651
4,5-dichloro-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 2736823
4-chloro-2-prop-2-enyl-5-(2-thiophen-3-ylethylamino)pyridazin-3-one
CID 114435540
4,5-dichloro-2-[(2,5-dimethylphenyl)methyl]pyridazin-3-one
CID 2662480
3-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-5-fluorobenzonitrile
CID 114386442
4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435566
4-[(4,5-dichloro-6-oxopyridazin-1-yl)methyl]-2-methoxybenzonitrile
CID 106793163
4,5-dichloro-2-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pyridazin-3-one
CID 51111624

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one (CID 114386429) is 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one is O=c1c(Cl)c(Cl)cnn1Cc1ccsc1.
What is the InChIKey of 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one?
The InChIKey is FODLHEICLBVPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c10-7-3-12-13(9(14)8(7)11)4-6-1-2-15-5-6/h1-3,5H,4H2.
What are the key properties of 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one?
4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one has a molecular weight of 261.13 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(thiophen-3-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 114386429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).