4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one

C14H18ClN3OS — CID 114435566

IUPAC4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
SMILESCCCn1ncc(NC(C)Cc2ccsc2)c(Cl)c1=O
InChIInChI=1S/C14H18ClN3OS/c1-3-5-18-14(19)13(15)12(8-16-18)17-10(2)7-11-4-6-20-9-11/h4,6,8-10,17H,3,5,7H2,1-2H3
InChIKeyMSXXGTHNJHFWII-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.41
Rot. Bonds6

About 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one

4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one (PubChem CID 114435566) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
PubChem CID114435566
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
SMILESCCCn1ncc(NC(C)Cc2ccsc2)c(Cl)c1=O
InChIInChI=1S/C14H18ClN3OS/c1-3-5-18-14(19)13(15)12(8-16-18)17-10(2)7-11-4-6-20-9-11/h4,6,8-10,17H,3,5,7H2,1-2H3
InChIKeyMSXXGTHNJHFWII-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435565
4-bromo-2-prop-2-ynyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435559
1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine
CID 115923213
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
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one
CID 114437766
5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114447317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one (CID 114435566) is 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one is CCCn1ncc(NC(C)Cc2ccsc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one?
The InChIKey is MSXXGTHNJHFWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-3-5-18-14(19)13(15)12(8-16-18)17-10(2)7-11-4-6-20-9-11/h4,6,8-10,17H,3,5,7H2,1-2H3.
What are the key properties of 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one?
4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one has a molecular weight of 311.84 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one is sourced from PubChem (CID 114435566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).