5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one

C13H10ClN5OS — CID 133379968

IUPAC5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCc2nnc(-c3ccccc3)s2)c1Cl
InChIInChI=1S/C13H10ClN5OS/c14-11-9(6-16-18-12(11)20)15-7-10-17-19-13(21-10)8-4-2-1-3-5-8/h1-6H,7H2,(H2,15,18,20)
InChIKeyPZKCNGXRYGQHMB-UHFFFAOYSA-N
MW319.78 g/mol
LogP2.55
Rot. Bonds4

About 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one

5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one (PubChem CID 133379968) has the molecular formula C13H10ClN5OS and a molecular weight of 319.78 g/mol. Its IUPAC name is 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one
PubChem CID133379968
Molecular FormulaC13H10ClN5OS
Molecular Weight319.78 g/mol
Exact Mass319.03
IUPAC Name5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCc2nnc(-c3ccccc3)s2)c1Cl
InChIInChI=1S/C13H10ClN5OS/c14-11-9(6-16-18-12(11)20)15-7-10-17-19-13(21-10)8-4-2-1-3-5-8/h1-6H,7H2,(H2,15,18,20)
InChIKeyPZKCNGXRYGQHMB-UHFFFAOYSA-N
XLogP2.55
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]benzonitrile
CID 133379909
4-[(4-bromophenyl)methylamino]-5-chloro-1H-pyridazin-6-one
CID 78948051
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
4-[(2-amino-2-phenylethyl)amino]-5-chloro-1H-pyridazin-6-one
CID 80747062
5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 112730959
4-chloro-2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 99586504
2-fluoro-6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]benzonitrile
CID 133379853
5-chloro-4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-1H-pyridazin-6-one
CID 95376853
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
CID 78990669
5-chloro-4-[[2-(dimethylamino)quinolin-4-yl]methylamino]-1H-pyridazin-6-one
CID 133327918
5-chloro-4-[(2-methyl-1-benzofuran-3-yl)methylamino]-1H-pyridazin-6-one
CID 122143383
5-chloro-4-[(4-methylthiophen-3-yl)methylamino]-1H-pyridazin-6-one
CID 80747448

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one (CID 133379968) is 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one is O=c1[nH]ncc(NCc2nnc(-c3ccccc3)s2)c1Cl.
What is the InChIKey of 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one?
The InChIKey is PZKCNGXRYGQHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS/c14-11-9(6-16-18-12(11)20)15-7-10-17-19-13(21-10)8-4-2-1-3-5-8/h1-6H,7H2,(H2,15,18,20).
What are the key properties of 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one?
5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one has a molecular weight of 319.78 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 133379968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).