4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one

C12H15BrN4O2 — CID 97075099

IUPAC4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(N[C@@H]2CCN(C3CC3)C2=O)c(Br)c1=O
InChIInChI=1S/C12H15BrN4O2/c1-16-12(19)10(13)9(6-14-16)15-8-4-5-17(11(8)18)7-2-3-7/h6-8,15H,2-5H2,1H3/t8-/m1/s1
InChIKeyPBLFRDCKFCFWLI-MRVPVSSYSA-N
MW327.18 g/mol
LogP0.72
Rot. Bonds3

About 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one

4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one (PubChem CID 97075099) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
PubChem CID97075099
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(N[C@@H]2CCN(C3CC3)C2=O)c(Br)c1=O
InChIInChI=1S/C12H15BrN4O2/c1-16-12(19)10(13)9(6-14-16)15-8-4-5-17(11(8)18)7-2-3-7/h6-8,15H,2-5H2,1H3/t8-/m1/s1
InChIKeyPBLFRDCKFCFWLI-MRVPVSSYSA-N
XLogP0.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one with MolForge

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Related Compounds

4-bromo-5-[(4-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 103844308
4-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060109
4-bromo-5-[(1-cyclopropyl-5-phenylpiperidin-3-yl)amino]-2-methylpyridazin-3-one
CID 171527404
4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 115624182
4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
CID 114443868
4-bromo-2-methyl-5-[(1-propylsulfonylpiperidin-4-yl)amino]pyridazin-3-one
CID 133303428
4-bromo-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one
CID 113243966
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
ethyl 4-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]piperidine-1-carboxylate
CID 115623973
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 114439706
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788
5-[[(3aR,4R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]amino]-4-bromo-2-methylpyridazin-3-one
CID 97226331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one (CID 97075099) is 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one is Cn1ncc(N[C@@H]2CCN(C3CC3)C2=O)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one?
The InChIKey is PBLFRDCKFCFWLI-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-16-12(19)10(13)9(6-14-16)15-8-4-5-17(11(8)18)7-2-3-7/h6-8,15H,2-5H2,1H3/t8-/m1/s1.
What are the key properties of 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one?
4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one has a molecular weight of 327.18 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 97075099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).