4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one

C11H18ClN3OS — CID 114442160

IUPAC4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)CSC)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3OS/c1-4-5-15-11(16)10(12)9(6-13-15)14-8(2)7-17-3/h6,8,14H,4-5,7H2,1-3H3
InChIKeySJSVHYKMNUQZLF-UHFFFAOYSA-N
MW275.81 g/mol
LogP2.47
Rot. Bonds6

About 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one

4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one (PubChem CID 114442160) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
PubChem CID114442160
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)CSC)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3OS/c1-4-5-15-11(16)10(12)9(6-13-15)14-8(2)7-17-3/h6,8,14H,4-5,7H2,1-3H3
InChIKeySJSVHYKMNUQZLF-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-(1-methylsulfanylpropan-2-ylamino)pyridazin-3-one
CID 114442164
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
2-butyl-4-chloro-5-(4-methylsulfanylbutan-2-ylamino)pyridazin-3-one
CID 114442233
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114442151
methyl 2-[5-chloro-4-(1-methylsulfanylpropan-2-ylamino)-6-oxopyridazin-1-yl]acetate
CID 114442161
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
4-chloro-5-(1-piperidin-1-ylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114435760
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435566
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one (CID 114442160) is 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one is CCCn1ncc(NC(C)CSC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one?
The InChIKey is SJSVHYKMNUQZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-4-5-15-11(16)10(12)9(6-13-15)14-8(2)7-17-3/h6,8,14H,4-5,7H2,1-3H3.
What are the key properties of 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one?
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one has a molecular weight of 275.81 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114442160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).