2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide

C12H17BrN4O3 — CID 106239365

IUPAC2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C12H17BrN4O3/c13-11-9(15-3-4-20-7-10(14)18)5-16-17(12(11)19)6-8-1-2-8/h5,8,15H,1-4,6-7H2,(H2,14,18)
InChIKeyBXDIHNIJTDRADA-UHFFFAOYSA-N
MW345.20 g/mol
LogP0.33
Rot. Bonds8

About 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide

2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide (PubChem CID 106239365) has the molecular formula C12H17BrN4O3 and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide
PubChem CID106239365
Molecular FormulaC12H17BrN4O3
Molecular Weight345.20 g/mol
Exact Mass344.05
IUPAC Name2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide
SMILESNC(=O)COCCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C12H17BrN4O3/c13-11-9(15-3-4-20-7-10(14)18)5-16-17(12(11)19)6-8-1-2-8/h5,8,15H,1-4,6-7H2,(H2,14,18)
InChIKeyBXDIHNIJTDRADA-UHFFFAOYSA-N
XLogP0.33
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441278
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
CID 114432904
2-[2-[[5-chloro-2-(cyclobutylmethyl)-3-oxopyridazin-4-yl]amino]ethoxy]acetamide
CID 106239368
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434107
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide
CID 114441623
2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-propylacetamide
CID 114433638
4-bromo-2-(cyclopropylmethyl)-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444121
4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-3-methoxypropyl)amino]pyridazin-3-one
CID 114438543
5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432064
4-bromo-2-(cyclopropylmethyl)-5-[2-[ethyl(methyl)amino]ethylamino]pyridazin-3-one
CID 114437293
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide (CID 106239365) is 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide is NC(=O)COCCNc1cnn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide?
The InChIKey is BXDIHNIJTDRADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O3/c13-11-9(15-3-4-20-7-10(14)18)5-16-17(12(11)19)6-8-1-2-8/h5,8,15H,1-4,6-7H2,(H2,14,18).
What are the key properties of 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide?
2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide has a molecular weight of 345.20 g/mol, XLogP of 0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 106239365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).