2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide

C12H19BrN4O2 — CID 114433599

IUPAC2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cnn(CC(C)C)c(=O)c1Br
InChIInChI=1S/C12H19BrN4O2/c1-4-14-10(18)6-15-9-5-16-17(7-8(2)3)12(19)11(9)13/h5,8,15H,4,6-7H2,1-3H3,(H,14,18)
InChIKeyYWQLQPRAQCSLFC-UHFFFAOYSA-N
MW331.21 g/mol
LogP1.21
Rot. Bonds6

About 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide

2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide (PubChem CID 114433599) has the molecular formula C12H19BrN4O2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide
PubChem CID114433599
Molecular FormulaC12H19BrN4O2
Molecular Weight331.21 g/mol
Exact Mass330.07
IUPAC Name2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cnn(CC(C)C)c(=O)c1Br
InChIInChI=1S/C12H19BrN4O2/c1-4-14-10(18)6-15-9-5-16-17(7-8(2)3)12(19)11(9)13/h5,8,15H,4,6-7H2,1-3H3,(H,14,18)
InChIKeyYWQLQPRAQCSLFC-UHFFFAOYSA-N
XLogP1.21
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide 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

2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-methylacetamide
CID 114432996
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433014
3-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436543
2-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-N-(2-methylpropyl)acetamide
CID 114441419
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N-propylacetamide
CID 114433642
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
4-bromo-5-(2-ethoxyethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114433703
4-bromo-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136743
methyl 2-[5-bromo-6-oxo-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridazin-1-yl]acetate
CID 114433633
4-bromo-5-[(4-hydroxyphenyl)methylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114443482
ethyl 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]propanoate
CID 114435725
2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-propylacetamide
CID 114433638

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide (CID 114433599) is 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide is CCNC(=O)CNc1cnn(CC(C)C)c(=O)c1Br.
What is the InChIKey of 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide?
The InChIKey is YWQLQPRAQCSLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O2/c1-4-14-10(18)6-15-9-5-16-17(7-8(2)3)12(19)11(9)13/h5,8,15H,4,6-7H2,1-3H3,(H,14,18).
What are the key properties of 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide?
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide has a molecular weight of 331.21 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide is sourced from PubChem (CID 114433599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).