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Carbazic acid, 3-(6-(diallylamino)pyridazin-3-yl)-, ethyl ester

HCID 41016
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
54121-10-7
Standard SMILES
C=CCN(CC=C)c1ccc(NNC(=O)OCC)nn1
InChIKey
ZCRHWTBMIUOAIC-UHFFFAOYSA-N
Molecular formula
C13H19N5O2
Average molar mass
277.32 g/mol
Monoisotopic mass
277.15387487

Names & identifiers

Preferred name
Carbazic acid, 3-(6-(diallylamino)pyridazin-3-yl)-, ethyl ester
IUPAC
ethyl N-[[6-[bis(prop-2-enyl)amino]pyridazin-3-yl]amino]carbamate

Names & synonyms

54121-10-73-(2-Carbethoxyhydrazino)-6-diallylaminopyridazineBRN 08919003-(6-(Diallylamino)pyridazin-3-yl)carbazic acid ethyl esterCARBAZIC ACID, 3-(6-(DIALLYLAMINO)PYRIDAZIN-3-YL)-, ETHYL ESTERDTXSID90202470Hydrazinecarboxylic acid, 2-(6-(di-2-propenylamino)-3-pyridazinyl)-, ethyl esterRefChem:333217DTXCID90124961Ethyl 2-(6-(diallylamino)pyridazin-3-yl)hydrazinecarboxylateSCHEMBL11728679ZCRHWTBMIUOAIC-UHFFFAOYSA-N
Show more names
Ethyl 2-{6-[di(prop-2-en-1-yl)amino]pyridazin-3-yl}hydrazine-1-carboxylate

Database identifiers

CAS
54121-10-7
PubChem CID
41016
DTXSID
DTXSID90202470
Nikkaji
J69.469J

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
79.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
20
Formal charge
0
Complexity
314

Related reactions

2 records
New reaction record
HRID 669561 reaction equation
HRID 669561As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1414870 reaction equation
HRID 1414870As productuspto-grants-1977_01

Compound notes

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