1-methyl-3,5-diphenyl-1,2,4-triazole

C15H13N3 — CID 4585579

IUPAC1-methyl-3,5-diphenyl-1,2,4-triazole
SMILESCn1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-18-15(13-10-6-3-7-11-13)16-14(17-18)12-8-4-2-5-9-12/h2-11H,1H3
InChIKeyTWAVESNVRDYFLI-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.15
Rot. Bonds2

About 1-methyl-3,5-diphenyl-1,2,4-triazole

1-methyl-3,5-diphenyl-1,2,4-triazole (PubChem CID 4585579) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-methyl-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3,5-diphenyl-1,2,4-triazole
PubChem CID4585579
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-methyl-3,5-diphenyl-1,2,4-triazole
SMILESCn1nc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C15H13N3/c1-18-15(13-10-6-3-7-11-13)16-14(17-18)12-8-4-2-5-9-12/h2-11H,1H3
InChIKeyTWAVESNVRDYFLI-UHFFFAOYSA-N
XLogP3.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Triamiphos
CID 13943
1H-1,2,4-Triazole, 5-phenyl-
CID 18786
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
1H-Tetrazole, 1-ethyl-5-phenyl-
CID 100270
1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
CID 213226
1-Benzyl-5-phenyl-1H-tetraazole
CID 307907
3-(1-Adamantyl)-4-methyl-5-phenyl-1,2,4-triazole
CID 10193044
4-Benzyl-5-phenyl-1,2,4-triazol-3-amine
CID 15563296
4-Methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11682215
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 853732
Mls003115328
CID 318161

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 1-methyl-3,5-diphenyl-1,2,4-triazole (CID 4585579) is 1-methyl-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 1-methyl-3,5-diphenyl-1,2,4-triazole is Cn1nc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1-methyl-3,5-diphenyl-1,2,4-triazole?
The InChIKey is TWAVESNVRDYFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-18-15(13-10-6-3-7-11-13)16-14(17-18)12-8-4-2-5-9-12/h2-11H,1H3.
What are the key properties of 1-methyl-3,5-diphenyl-1,2,4-triazole?
1-methyl-3,5-diphenyl-1,2,4-triazole has a molecular weight of 235.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 4585579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).