tolyl-1H-1,2,4-triazole
Basic information
- CAS
29466-14-6- Standard SMILES
Cc1ccccc1-n1cncn1- InChIKey
LAGFUXOTKFAPEC-UHFFFAOYSA-N- Molecular formula
- C9H9N3
- Average molar mass
- 159.19 g/mol
- Monoisotopic mass
- 159.0796473
Names & identifiers
- Preferred name
- tolyl-1H-1,2,4-triazole
- IUPAC
- 1-(2-methylphenyl)-1,2,4-triazole
- English name
- tolyl-1H-1,2,4-triazole
- Molecular formula
- C9H9N3
- Molecular weight
- 159.18786
Names & synonyms
Tolyl-1H-1,2,4-triazole29466-14-6Triazole, tolyl-DTXSID70183672EINECS 249-656-1RefChem:190317DTXCID10106163249-656-11-(2-methylphenyl)-1,2,4-triazole1H-1,2,4-Triazole, (methylphenyl)- (9CI)1-(2-methylphenyl)-1h-1,2,4-triazoleSCHEMBL2463773
Show more names
(Methylphenyl)-1H-1,2,4-triazole
SCHEMBL2917479SCHEMBL28497463LAGFUXOTKFAPEC-UHFFFAOYSA-NNS00020626
Database identifiers
- CAS
29466-14-6- PubChem CID
- 169042
- DTXSID
DTXSID70183672- EC Number
- 249-656-1
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
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Compound notes
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