Basic information
- CAS
5034-77-5- Standard SMILES
NC(=O)C1=NC=NC1N=NN(CCCl)CCCl- InChIKey
HWZWQWYYZMCKAJ-UHFFFAOYSA-N- Molecular formula
- C8H12Cl2N6O
- Average molar mass
- 279.12 g/mol
- Monoisotopic mass
- 278.0449644
Overview
inhibitor of purine nucleoside synthesis; minor descriptor (77-84); on-line & Index Medicus search NITROGEN MUSTARD COMPOUNDS (77-84); RN given refers to parent cpd
Names & identifiers
- Preferred name
- Imidazole Mustard
- IUPAC
- 4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide
Names & synonyms
DTXSID001032375IMIDAZOLE MUSTARDBIC mustardMCTICRefChem:923337DTXCID2015173795-(3, 3-Bis(2-chloroethyl)-1-triazeno)-imidazole-4-carboxamide5-(3, 3-Bis(2-chloroethyl)-1-triazeno)imidazole-4-carboxamide5-(3,3-Bis(2-Chloroethyl)-1-Triazeno)Imidazole-4-CarboxamideNSC82196TIC MustardSCHEMBL29395792
Show more names
4-[bis(2-chloroethyl)aminodiazenyl]-4H-imidazole-5-carboxamide
Database identifiers
- CAS
5034-77-5- PubChem CID
- 21130
- DTXSID
DTXSID001032375
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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