Basic information
- CAS
502685-73-6- Standard SMILES
COc1cccc(Cc2nc(N)n[nH]2)c1- InChIKey
VCRWHTNNLNJWDQ-UHFFFAOYSA-N- Molecular formula
- C10H12N4O
- Average molar mass
- 204.23 g/mol
- Monoisotopic mass
- 204.10111102
Names & identifiers
- Preferred name
- 5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-amine
- IUPAC
- 5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-amine
- English name
- 5-(3-Methoxybenzyl)-4H-1,2,4-triazol-3-amine
- Molecular formula
- C10H12N4O
- Molecular weight
- 204.23
Names & synonyms
502685-73-65-(3-METHOXYBENZYL)-4H-1,2,4-TRIAZOL-3-AMINE5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-amineDTXSID90393812AKOS0105324271H-1,2,4-Triazol-5-amine, 3-[(3-methoxyphenyl)methyl]-
Database identifiers
- CAS
502685-73-6- PubChem CID
- 3577232
- DTXSID
DTXSID90393812
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Density
- 1.277 · 1.277
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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