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

C12H15ClN4O2 — CID 106373847

IUPAC4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2ncc(C)o2)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4O2/c1-3-4-17-12(18)11(13)9(6-16-17)14-7-10-15-5-8(2)19-10/h5-6,14H,3-4,7H2,1-2H3
InChIKeyHRFAYLCRHDAQJW-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.22
Rot. Bonds5

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

4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one (PubChem CID 106373847) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one
PubChem CID106373847
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2ncc(C)o2)c(Cl)c1=O
InChIInChI=1S/C12H15ClN4O2/c1-3-4-17-12(18)11(13)9(6-16-17)14-7-10-15-5-8(2)19-10/h5-6,14H,3-4,7H2,1-2H3
InChIKeyHRFAYLCRHDAQJW-UHFFFAOYSA-N
XLogP2.22
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114434597
4-chloro-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 106373441
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
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
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-[(2-methoxy-4-pyridinyl)methylamino]-2-propylpyridazin-3-one
CID 114437534
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
4-chloro-5-[(5-oxopyrrolidin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114438693

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one (CID 106373847) is 4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCc2ncc(C)o2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is HRFAYLCRHDAQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-3-4-17-12(18)11(13)9(6-16-17)14-7-10-15-5-8(2)19-10/h5-6,14H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one?
4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 282.73 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 106373847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).