1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole

C17H17N3 — CID 140601898

IUPAC1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
SMILESCc1cccc(C)c1-n1nc(-c2ccccc2)nc1C
InChIInChI=1S/C17H17N3/c1-12-8-7-9-13(2)16(12)20-14(3)18-17(19-20)15-10-5-4-6-11-15/h4-11H,1-3H3
InChIKeyIFOBMQMFWHWKNI-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.86
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole

1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole (PubChem CID 140601898) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
PubChem CID140601898
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
SMILESCc1cccc(C)c1-n1nc(-c2ccccc2)nc1C
InChIInChI=1S/C17H17N3/c1-12-8-7-9-13(2)16(12)20-14(3)18-17(19-20)15-10-5-4-6-11-15/h4-11H,1-3H3
InChIKeyIFOBMQMFWHWKNI-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
5-methyl-1-(2,3,4,5,6-pentafluorophenyl)-3-phenyl-1,2,4-triazole
CID 24764267
1-(2-methylphenyl)-3,5-diphenyl-1,2,4-triazole
CID 134846974
nickel(2+);bis(tris(5-methyl-3-phenyl-1,2,4-triazol-1-yl)boranuide)
CID 139157860
1-(2,6-dimethylphenyl)-3-phenylindazole
CID 59661510
1-(2-methylphenyl)-3-phenyl-5-propyl-1,2,4-triazole
CID 71073515
2-(3,4-dimethylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 123624299
4-(2,6-dimethylphenyl)-2-phenylpyrimidine
CID 151282962
[2-[3-(4-chlorophenyl)-5-methyl-1,2,4-triazol-1-yl]phenyl]phosphane
CID 145325422
2-[4-[3-(3-methyl-2-pyridinyl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146586970
2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol
CID 162491838
1-(2,6-dimethylphenyl)-5-(4-phenylimidazol-1-id-2-yl)-1,2,4-triazole;iridium
CID 155613275

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole?
The IUPAC name of 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole (CID 140601898) is 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole?
The canonical SMILES for 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole is Cc1cccc(C)c1-n1nc(-c2ccccc2)nc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole?
The InChIKey is IFOBMQMFWHWKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-8-7-9-13(2)16(12)20-14(3)18-17(19-20)15-10-5-4-6-11-15/h4-11H,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole?
1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole has a molecular weight of 263.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 140601898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).