Carbazic acid, 3-(6-((2-hydroxyethyl)methylamino)pyridazin-3-YL)-, ethyl ester

HCID 41014

Notes Reactions

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Basic information

CAS: 54121-07-2
Standard SMILES: CCOC(=O)NNc1ccc(N(C)CCO)nn1
InChIKey: OQLFEFYQCJEMRL-UHFFFAOYSA-N
Molecular formula: C10H17N5O3
Average molar mass: 255.27 g/mol
Monoisotopic mass: 255.13313942

Names & identifiers

Preferred name: Carbazic acid, 3-(6-((2-hydroxyethyl)methylamino)pyridazin-3-YL)-, ethyl ester
IUPAC: ethyl N-[[6-[2-hydroxyethyl(methyl)amino]pyridazin-3-yl]amino]carbamate

Names & synonyms

CARBAZIC ACID, 3-(6-((2-HYDROXYETHYL)METHYLAMINO)PYRIDAZIN-3-YL)-, ETHYL ESTER54121-07-2BRN 08927733-(6-((2-Hydroxyethyl)methylamino)pyridazin-3-yl)carbazic acid ethyl esterSCHEMBL11727392DTXSID20202468OQLFEFYQCJEMRL-UHFFFAOYSA-N3-(2-carbethoxyhydrazino)-6-[N-(2-hydroxyethyl)methylamino] -pyridazineEthyl 2-{6-[(2-hydroxyethyl)(methyl)amino]pyridazin-3-yl}hydrazine-1-carboxylate

Database identifiers

CAS: 54121-07-2
PubChem CID: 41014
DTXSID: DTXSID20202468
Nikkaji: J69.474F

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 99.6 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 254

Related reactions

2 records

New reaction record

HRID 696418As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1414869As productuspto-grants-1977_01

Compound notes

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