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

C12H14BrN5O2 — CID 114434385

IUPAC4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
SMILESCc1noc(CNc2cnn(CC3CC3)c(=O)c2Br)n1
InChIInChI=1S/C12H14BrN5O2/c1-7-16-10(20-17-7)5-14-9-4-15-18(6-8-2-3-8)12(19)11(9)13/h4,8,14H,2-3,5-6H2,1H3
InChIKeySEBVJEPYAZCFGJ-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.72
Rot. Bonds5

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

4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one (PubChem CID 114434385) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
PubChem CID114434385
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one
SMILESCc1noc(CNc2cnn(CC3CC3)c(=O)c2Br)n1
InChIInChI=1S/C12H14BrN5O2/c1-7-16-10(20-17-7)5-14-9-4-15-18(6-8-2-3-8)12(19)11(9)13/h4,8,14H,2-3,5-6H2,1H3
InChIKeySEBVJEPYAZCFGJ-UHFFFAOYSA-N
XLogP1.72
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114434376
4-bromo-2-(cyclopropylmethyl)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]pyridazin-3-one
CID 114439956
methyl 2-[5-bromo-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 114434378
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-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-one
CID 114439863
4-bromo-2-(cyclopropylmethyl)-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444121
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-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one (CID 114434385) is 4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one is Cc1noc(CNc2cnn(CC3CC3)c(=O)c2Br)n1.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one?
The InChIKey is SEBVJEPYAZCFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c1-7-16-10(20-17-7)5-14-9-4-15-18(6-8-2-3-8)12(19)11(9)13/h4,8,14H,2-3,5-6H2,1H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one has a molecular weight of 340.18 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114434385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).