4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one

C12H15ClN4OS — CID 114434597

IUPAC4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2nc(C)cs2)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4OS/c1-3-4-17-12(18)11(13)9(5-15-17)14-6-10-16-8(2)7-19-10/h5,7,14H,3-4,6H2,1-2H3
InChIKeyNUEKFIBWVFMHTO-UHFFFAOYSA-N
MW298.80 g/mol
LogP2.68
Rot. Bonds5

About 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one

4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114434597) has the molecular formula C12H15ClN4OS and a molecular weight of 298.80 g/mol. Its IUPAC name is 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one
PubChem CID114434597
Molecular FormulaC12H15ClN4OS
Molecular Weight298.80 g/mol
Exact Mass298.07
IUPAC Name4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2nc(C)cs2)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4OS/c1-3-4-17-12(18)11(13)9(5-15-17)14-6-10-16-8(2)7-19-10/h5,7,14H,3-4,6H2,1-2H3
InChIKeyNUEKFIBWVFMHTO-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 113222227
methyl 2-[5-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 114434598
4-bromo-2-methyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridazin-3-one
CID 115624005
4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 106373847
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-bromo-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114434588
4-chloro-5-[(2,2-dimethylcyclopropyl)methylamino]-2-propylpyridazin-3-one
CID 114108582
4-chloro-5-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-propylpyridazin-3-one
CID 106303437
5-[(3-bromothiophen-2-yl)methylamino]-2-butyl-4-chloropyridazin-3-one
CID 114440350
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one (CID 114434597) is 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCc2nc(C)cs2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is NUEKFIBWVFMHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4OS/c1-3-4-17-12(18)11(13)9(5-15-17)14-6-10-16-8(2)7-19-10/h5,7,14H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one?
4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 298.80 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114434597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).