1-Methyl-3-phenyl-1H-1,2,4-triazole

HCID 10877408

Notes Reactions

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Basic information

CAS: 39696-58-7
Standard SMILES: Cn1cnc(-c2ccccc2)n1
InChIKey: WNJZGUZYODIDKC-UHFFFAOYSA-N
Molecular formula: C9H9N3
Average molar mass: 159.19 g/mol
Monoisotopic mass: 159.07964729

Names & identifiers

Preferred name: 1-Methyl-3-phenyl-1H-1,2,4-triazole
IUPAC: 1-methyl-3-phenyl-1,2,4-triazole
English name: 1-METHYL-3-PHENYL-1H-[1,2,4]TRIAZOLE
Molecular weight: 0

Names & synonyms

39696-58-71-METHYL-3-PHENYL-1H-1,2,4-TRIAZOLEDTXSID20446724RefChem:231764DTXCID20397545MFCD110446031-methyl-3-phenyl-1,2,4-triazoleSCHEMBL822577SCHEMBL1672983SCHEMBL7221564WNJZGUZYODIDKC-UHFFFAOYSA-NAKOS006307072

Show more names

1-METHYL-3-PHENYL-1H-[1,2,4]TRIAZOLE

DA-06196SY295558

Database identifiers

CAS: 39696-58-7
PubChem CID: 10877408
DTXSID: DTXSID20446724
Nikkaji: J1.219.541I

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 143

Chemistry & industry

Suppliers1 total

AlliChem, LLC[email protected]

Related reactions

16 records

New reaction record

HRID 153029As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 816227As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 935321As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 956562As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1233974As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2105049As reactantuspto-grants-2009_08

HRID 2105053As reactantuspto-grants-2009_08

HRID 2105061As reactantuspto-grants-2009_08

Compound notes

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