4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one

C12H17BrN6O2 — CID 106402588

IUPAC4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
SMILESCc1nc(CNc2cnn(CCN(C)C)c(=O)c2Br)no1
InChIInChI=1S/C12H17BrN6O2/c1-8-16-10(17-21-8)7-14-9-6-15-19(5-4-18(2)3)12(20)11(9)13/h6,14H,4-5,7H2,1-3H3
InChIKeyZGMWZCNRQRMVTD-UHFFFAOYSA-N
MW357.21 g/mol
LogP0.87
Rot. Bonds6

About 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one

4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one (PubChem CID 106402588) has the molecular formula C12H17BrN6O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
PubChem CID106402588
Molecular FormulaC12H17BrN6O2
Molecular Weight357.21 g/mol
Exact Mass356.06
IUPAC Name4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
SMILESCc1nc(CNc2cnn(CCN(C)C)c(=O)c2Br)no1
InChIInChI=1S/C12H17BrN6O2/c1-8-16-10(17-21-8)7-14-9-6-15-19(5-4-18(2)3)12(20)11(9)13/h6,14H,4-5,7H2,1-3H3
InChIKeyZGMWZCNRQRMVTD-UHFFFAOYSA-N
XLogP0.87
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one with MolForge

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Related Compounds

4-bromo-2-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 106402637
4-bromo-2-methyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 113243855
4-bromo-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106402634
4-bromo-2-(2-hydroxyethyl)-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridazin-3-one
CID 106418516
4-bromo-2-[2-(dimethylamino)ethyl]-5-(1,3-thiazol-4-ylmethylamino)pyridazin-3-one
CID 114438059
4-chloro-2-(2-methoxyethyl)-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 103703243
4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436086
4-bromo-2-[2-(dimethylamino)ethyl]-5-(pentan-3-ylamino)pyridazin-3-one
CID 114431621
4-bromo-2-[2-(dimethylamino)ethyl]-5-[2-(2-methoxyethylamino)ethylamino]pyridazin-3-one
CID 114447121
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-2-methylpropanamide
CID 114434932
4-bromo-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114439954
5-(4-aminoanilino)-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114444754

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one (CID 106402588) is 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one is Cc1nc(CNc2cnn(CCN(C)C)c(=O)c2Br)no1.
What is the InChIKey of 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one?
The InChIKey is ZGMWZCNRQRMVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN6O2/c1-8-16-10(17-21-8)7-14-9-6-15-19(5-4-18(2)3)12(20)11(9)13/h6,14H,4-5,7H2,1-3H3.
What are the key properties of 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one?
4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one has a molecular weight of 357.21 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 106402588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).