2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate

C11H15BrN4O3 — CID 114441278

IUPAC2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
SMILESNC(=O)OCCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C11H15BrN4O3/c12-9-8(14-3-4-19-11(13)18)5-15-16(10(9)17)6-7-1-2-7/h5,7,14H,1-4,6H2,(H2,13,18)
InChIKeyGZXWSLLMABXJQF-UHFFFAOYSA-N
MW331.17 g/mol
LogP0.92
Rot. Bonds6

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

2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate (PubChem CID 114441278) has the molecular formula C11H15BrN4O3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
PubChem CID114441278
Molecular FormulaC11H15BrN4O3
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
SMILESNC(=O)OCCNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C11H15BrN4O3/c12-9-8(14-3-4-19-11(13)18)5-15-16(10(9)17)6-7-1-2-7/h5,7,14H,1-4,6H2,(H2,13,18)
InChIKeyGZXWSLLMABXJQF-UHFFFAOYSA-N
XLogP0.92
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate 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-[2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethoxy]acetamide
CID 106239365
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
CID 114432904
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
4-bromo-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914
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
2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-propylacetamide
CID 114433638
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-(2,2-difluoroethylamino)pyridazin-3-one
CID 114440775
4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899

Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate?
The IUPAC name of 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate (CID 114441278) is 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate?
The canonical SMILES for 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate is NC(=O)OCCNc1cnn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate?
The InChIKey is GZXWSLLMABXJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O3/c12-9-8(14-3-4-19-11(13)18)5-15-16(10(9)17)6-7-1-2-7/h5,7,14H,1-4,6H2,(H2,13,18).
What are the key properties of 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate?
2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate has a molecular weight of 331.17 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate is sourced from PubChem (CID 114441278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).