4-Amino-3-(4-chloroanilino)-6-methyl-4,5-dihydro-1,2,4-triazin-5-one
Basic information
- CAS
22285-10-5- Standard SMILES
Cc1nnc(Nc2ccc(Cl)cc2)n(N)c1=O- InChIKey
CRHBLCIHJHRXRQ-UHFFFAOYSA-N- Molecular formula
- C10H10ClN5O
- Average molar mass
- 251.67 g/mol
- Monoisotopic mass
- 251.0573877
Names & identifiers
- Preferred name
- 4-Amino-3-(4-chloroanilino)-6-methyl-4,5-dihydro-1,2,4-triazin-5-one
- IUPAC
- 4-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one
- English name
- 4-AMINO-3-(4-CHLOROANILINO)-6-METHYL-4,5-DIHYDRO-1,2,4-TRIAZIN-5-ONE
- Molecular formula
- C10H10ClN5O
- Molecular weight
- 251.67
Names & synonyms
22285-10-54-amino-3-(4-chloroanilino)-6-methyl-4,5-dihydro-1,2,4-triazin-5-oneDTXSID40353163RefChem:289897DTXCID903042264-amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5-one4-Amino-3-((4-chlorophenyl)amino)-6-methyl-1,2,4-triazin-5(4H)-one1,2,4-Triazin-5(4H)-one, 4-amino-3-[(4-chlorophenyl)amino]-6-methyl-4-amino-3-[(4-chlorophenyl)amino]-6-methyl-1,2,4-triazin-5(4H)-oneSMR000163057Oprea1_727239MLS000325087
Show more names
CHEMBL1877422SCHEMBL11717522HMS2351C23DB-004224AF-826/303920094-Amino-3-(4-chloroanilino)-6-methyl-1,2,4-triazin-5(4H)-one
Database identifiers
- CAS
22285-10-5- PubChem CID
- 737019
- DTXSID
DTXSID40353163- ChEMBL
CHEMBL1877422
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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