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

C14H17BrN4O2 — CID 114439956

IUPAC4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one
SMILESCc1noc(C)c1CNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C14H17BrN4O2/c1-8-11(9(2)21-18-8)5-16-12-6-17-19(7-10-3-4-10)14(20)13(12)15/h6,10,16H,3-5,7H2,1-2H3
InChIKeyFGRKJIARTZGEED-UHFFFAOYSA-N
MW353.22 g/mol
LogP2.63
Rot. Bonds5

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

4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one (PubChem CID 114439956) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one
PubChem CID114439956
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one
SMILESCc1noc(C)c1CNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C14H17BrN4O2/c1-8-11(9(2)21-18-8)5-16-12-6-17-19(7-10-3-4-10)14(20)13(12)15/h6,10,16H,3-5,7H2,1-2H3
InChIKeyFGRKJIARTZGEED-UHFFFAOYSA-N
XLogP2.63
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one with MolForge

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Related Compounds

4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114439954
4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
CID 114434385
5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432064
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
4-bromo-5-[(4-bromothiophen-2-yl)methylamino]-2-(cyclopropylmethyl)pyridazin-3-one
CID 114438594
4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899
4-bromo-5-[(4-chlorophenyl)methylamino]-2-(cyclopropylmethyl)pyridazin-3-one
CID 114431110
4-bromo-2-(cyclopropylmethyl)-5-[(2-methylcyclohexyl)methylamino]pyridazin-3-one
CID 114436117
4-bromo-2-(cyclopropylmethyl)-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-one
CID 114439863
4-bromo-2-(cyclopropylmethyl)-5-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridazin-3-one
CID 114432134
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
CID 114432904
4-bromo-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one (CID 114439956) is 4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one is Cc1noc(C)c1CNc1cnn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one?
The InChIKey is FGRKJIARTZGEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-8-11(9(2)21-18-8)5-16-12-6-17-19(7-10-3-4-10)14(20)13(12)15/h6,10,16H,3-5,7H2,1-2H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one has a molecular weight of 353.22 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-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114439956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).