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

C13H17BrN4O2 — CID 114439954

IUPAC4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2c(C)noc2C)c(Br)c1=O
InChIInChI=1S/C13H17BrN4O2/c1-4-5-18-13(19)12(14)11(7-16-18)15-6-10-8(2)17-20-9(10)3/h7,15H,4-6H2,1-3H3
InChIKeySPPCDSSXMJNVNG-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.63
Rot. Bonds5

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

4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114439954) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one
PubChem CID114439954
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCc2c(C)noc2C)c(Br)c1=O
InChIInChI=1S/C13H17BrN4O2/c1-4-5-18-13(19)12(14)11(7-16-18)15-6-10-8(2)17-20-9(10)3/h7,15H,4-6H2,1-3H3
InChIKeySPPCDSSXMJNVNG-UHFFFAOYSA-N
XLogP2.63
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one
CID 114439956
4-chloro-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115593128
4-bromo-5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-methylpyridazin-3-one
CID 133347529
4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 106402637
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-5-[(2-chlorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432195
4-bromo-2-propyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 114435100
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
4-bromo-5-[(3-ethylthiophen-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114440240
4-bromo-5-(3-methylbut-2-enylamino)-2-propylpyridazin-3-one
CID 114156177
4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one
CID 106374052
4-bromo-5-[(2,5-difluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114438013

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one (CID 114439954) is 4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCc2c(C)noc2C)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is SPPCDSSXMJNVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-4-5-18-13(19)12(14)11(7-16-18)15-6-10-8(2)17-20-9(10)3/h7,15H,4-6H2,1-3H3.
What are the key properties of 4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one?
4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 341.21 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114439954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).