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

C12H15BrN4O2 — CID 106374052

IUPAC4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCc2nc(C)c(C)o2)c(Br)c1=O
InChIInChI=1S/C12H15BrN4O2/c1-4-17-12(18)11(13)9(5-15-17)14-6-10-16-7(2)8(3)19-10/h5,14H,4,6H2,1-3H3
InChIKeyAOMSTDYPYNKLPW-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.24
Rot. Bonds4

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

4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one (PubChem CID 106374052) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one
PubChem CID106374052
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one
SMILESCCn1ncc(NCc2nc(C)c(C)o2)c(Br)c1=O
InChIInChI=1S/C12H15BrN4O2/c1-4-17-12(18)11(13)9(5-15-17)14-6-10-16-7(2)8(3)19-10/h5,14H,4,6H2,1-3H3
InChIKeyAOMSTDYPYNKLPW-UHFFFAOYSA-N
XLogP2.24
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-ethyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 114436760
4-bromo-2-ethyl-5-[(5-ethylthiophen-2-yl)methylamino]pyridazin-3-one
CID 106013419
4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one
CID 114439016
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114439954
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
CID 114436162
4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one
CID 106373407
4-bromo-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114434376
4-bromo-5-[3-(dimethylamino)propylamino]-2-ethylpyridazin-3-one
CID 114432587
4-bromo-2-ethyl-5-(3-ethylsulfanylpropylamino)pyridazin-3-one
CID 114248240
4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
CID 114434385

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one (CID 106374052) is 4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one is CCn1ncc(NCc2nc(C)c(C)o2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one?
The InChIKey is AOMSTDYPYNKLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-4-17-12(18)11(13)9(5-15-17)14-6-10-16-7(2)8(3)19-10/h5,14H,4,6H2,1-3H3.
What are the key properties of 4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one?
4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one has a molecular weight of 327.18 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-ethylpyridazin-3-one is sourced from PubChem (CID 106374052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).