4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Basic information
- CAS
4194-37-0- Standard SMILES
Cc1n[nH]c(=O)n1N- InChIKey
RSHSEEWONPESSP-UHFFFAOYSA-N- Molecular formula
- C3H6N4O
- Average molar mass
- 114.11 g/mol
- Monoisotopic mass
- 114.05416083
Names & identifiers
- Preferred name
- 4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
- IUPAC
- 4-amino-3-methyl-1H-1,2,4-triazol-5-one
Names & synonyms
4194-37-04-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-oneDTXSID50341697RefChem:290002DTXCID70292778SCHEMBL8011310SCHEMBL208936544-amino-5-methyl-1,2,4-triazol-3-oneDB-3491114-Amino-3-methyl-1h-1,2,4-triazol-5(4h)-one4-amino-5-methyl-2h-1,2,4-triazol-3(4h)-one3-Methyl-4-amino-4,5(1H)-dihydro-1,2,4-triazole-5-one
Show more names
4-amino-5-methyl-2,4-dihydro-3H-1, 2,4-triazol-3-one4-Amino-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one #
Database identifiers
- CAS
4194-37-0- PubChem CID
- 575002
- DTXSID
DTXSID50341697- Nikkaji
- J1.531.680B
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 151
Related reactions
9 records
Compound notes
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