4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one

C14H19BrN4O2 — CID 106373407

IUPAC4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCc2ncc(CC)o2)c(Br)c1=O
InChIInChI=1S/C14H19BrN4O2/c1-3-5-6-19-14(20)13(15)11(8-18-19)16-9-12-17-7-10(4-2)21-12/h7-8,16H,3-6,9H2,1-2H3
InChIKeySGSRQGXBCFSEGN-UHFFFAOYSA-N
MW355.24 g/mol
LogP2.97
Rot. Bonds7

About 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one

4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one (PubChem CID 106373407) has the molecular formula C14H19BrN4O2 and a molecular weight of 355.24 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one
PubChem CID106373407
Molecular FormulaC14H19BrN4O2
Molecular Weight355.24 g/mol
Exact Mass354.07
IUPAC Name4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one
SMILESCCCCn1ncc(NCc2ncc(CC)o2)c(Br)c1=O
InChIInChI=1S/C14H19BrN4O2/c1-3-5-6-19-14(20)13(15)11(8-18-19)16-9-12-17-7-10(4-2)21-12/h7-8,16H,3-6,9H2,1-2H3
InChIKeySGSRQGXBCFSEGN-UHFFFAOYSA-N
XLogP2.97
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079
4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 106402637
4-bromo-2-butyl-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437624
4-bromo-2-butyl-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443259
4-bromo-2-butyl-5-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 114437871
4-bromo-2-butyl-5-[(3-methyl-4-pyridinyl)methylamino]pyridazin-3-one
CID 114700839
4-chloro-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 106373441
4-bromo-2-butyl-5-[2-(trifluoromethylsulfanyl)ethylamino]pyridazin-3-one
CID 106430875
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338803

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one (CID 106373407) is 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one is CCCCn1ncc(NCc2ncc(CC)o2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one?
The InChIKey is SGSRQGXBCFSEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4O2/c1-3-5-6-19-14(20)13(15)11(8-18-19)16-9-12-17-7-10(4-2)21-12/h7-8,16H,3-6,9H2,1-2H3.
What are the key properties of 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one?
4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one has a molecular weight of 355.24 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 106373407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).