5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one

C12H8ClN5OS — CID 82445741

IUPAC5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
SMILESNc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]c2=O)s1
InChIInChI=1S/C12H8ClN5OS/c13-7-3-1-6(2-4-7)9-5-8(10(19)16-15-9)11-17-18-12(14)20-11/h1-5H,(H2,14,18)(H,16,19)
InChIKeyLAPCSZXFIMVSCT-UHFFFAOYSA-N
MW305.75 g/mol
LogP2.19
Rot. Bonds2

About 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one

5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one (PubChem CID 82445741) has the molecular formula C12H8ClN5OS and a molecular weight of 305.75 g/mol. Its IUPAC name is 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
PubChem CID82445741
Molecular FormulaC12H8ClN5OS
Molecular Weight305.75 g/mol
Exact Mass305.01
IUPAC Name5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
SMILESNc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]c2=O)s1
InChIInChI=1S/C12H8ClN5OS/c13-7-3-1-6(2-4-7)9-5-8(10(19)16-15-9)11-17-18-12(14)20-11/h1-5H,(H2,14,18)(H,16,19)
InChIKeyLAPCSZXFIMVSCT-UHFFFAOYSA-N
XLogP2.19
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-amino-1,3,4-thiadiazol-2-yl)-3-methyl-1H-pyridazin-6-one
CID 82442590
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445927
5-(2-aminopropan-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one
CID 82445739
3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445716
methyl 3-(4-chlorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 142411116
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850813
5-(3-chloro-2-iodophenyl)-1,3,4-thiadiazol-2-amine
CID 130052776
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
5,7-bis(4-chlorophenyl)-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one
CID 6199734
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]propanamide
CID 142636925
1,1-bis[3-(4-chlorophenyl)-1H-pyrazol-5-yl]ethane-1,2-diamine
CID 68667695
3-chloro-5-(3,4-difluorophenyl)-1H-pyridazin-6-one
CID 106516982

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one (CID 82445741) is 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one is Nc1nnc(-c2cc(-c3ccc(Cl)cc3)n[nH]c2=O)s1.
What is the InChIKey of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one?
The InChIKey is LAPCSZXFIMVSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN5OS/c13-7-3-1-6(2-4-7)9-5-8(10(19)16-15-9)11-17-18-12(14)20-11/h1-5H,(H2,14,18)(H,16,19).
What are the key properties of 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one?
5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one has a molecular weight of 305.75 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).