5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one

C12H18BrN3O — CID 114386141

IUPAC5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one
SMILESCCC1CCC(Nc2cn[nH]c(=O)c2Br)C1C
InChIInChI=1S/C12H18BrN3O/c1-3-8-4-5-9(7(8)2)15-10-6-14-16-12(17)11(10)13/h6-9H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyRJSWVPVVYZZRMH-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.77
Rot. Bonds3

About 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one

5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one (PubChem CID 114386141) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one
PubChem CID114386141
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one
SMILESCCC1CCC(Nc2cn[nH]c(=O)c2Br)C1C
InChIInChI=1S/C12H18BrN3O/c1-3-8-4-5-9(7(8)2)15-10-6-14-16-12(17)11(10)13/h6-9H,3-5H2,1-2H3,(H2,15,16,17)
InChIKeyRJSWVPVVYZZRMH-UHFFFAOYSA-N
XLogP2.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-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

5-bromo-4-[(2-methoxycyclopentyl)amino]-1H-pyridazin-6-one
CID 114386050
4-bromo-5-[(3-ethyl-2-methylcyclopentyl)amino]-2-prop-2-ynylpyridazin-3-one
CID 114439151
5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one
CID 114386158
7-amino-6-[(3-ethyl-2-methylcyclopentyl)amino]-4H-1,4-benzoxazin-3-one
CID 64921513
3-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114288751
5-[(3-ethyl-2-methylcyclopentyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 64923372
4-chloro-5-[(3-ethyl-2-methylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439163
2-amino-5-[(3-ethyl-2-methylcyclopentyl)amino]pyridine-4-carboxylic acid
CID 114195184
5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one
CID 115576964
5-bromo-4-(pentan-2-ylamino)-1H-pyridazin-6-one
CID 115577041
2-[(3-ethyl-2-methylcyclopentyl)amino]-N-methylbenzenesulfonamide
CID 64921417
N-(3-ethyl-2-methylcyclopentyl)-4,6-dimethylpyrimidin-2-amine
CID 64915028

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one (CID 114386141) is 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one is CCC1CCC(Nc2cn[nH]c(=O)c2Br)C1C.
What is the InChIKey of 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one?
The InChIKey is RJSWVPVVYZZRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-8-4-5-9(7(8)2)15-10-6-14-16-12(17)11(10)13/h6-9H,3-5H2,1-2H3,(H2,15,16,17).
What are the key properties of 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one?
5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one has a molecular weight of 300.20 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-ethyl-2-methylcyclopentyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 114386141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).