1-methyl-3-(3-phenylphenyl)-1,2,4-triazole

C15H13N3 — CID 59348213

IUPAC1-methyl-3-(3-phenylphenyl)-1,2,4-triazole
SMILESCn1cnc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C15H13N3/c1-18-11-16-15(17-18)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyUAYYDWKKCJKUGL-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.15
Rot. Bonds2

About 1-methyl-3-(3-phenylphenyl)-1,2,4-triazole

1-methyl-3-(3-phenylphenyl)-1,2,4-triazole (PubChem CID 59348213) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-methyl-3-(3-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-methyl-3-(3-phenylphenyl)-1,2,4-triazole
PubChem CID59348213
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-methyl-3-(3-phenylphenyl)-1,2,4-triazole
SMILESCn1cnc(-c2cccc(-c3ccccc3)c2)n1
InChIInChI=1S/C15H13N3/c1-18-11-16-15(17-18)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11H,1H3
InChIKeyUAYYDWKKCJKUGL-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

3-(1-methyl-1,2,4-triazol-3-yl)benzaldehyde
CID 163359544
bis(1,3-diphenylbenzene);ethane
CID 144938975
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 157466607
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 122606669
1,3-diphenylbenzene;ethane;methane
CID 171489435
2,4-diphenyl-6-[3-[3-[3-[3-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 161350824
2-[3-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 163754127
2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158245493
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-bis(3-phenylphenyl)-6-[3-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 158915777
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052596

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 1-methyl-3-(3-phenylphenyl)-1,2,4-triazole (CID 59348213) is 1-methyl-3-(3-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-methyl-3-(3-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-methyl-3-(3-phenylphenyl)-1,2,4-triazole is Cn1cnc(-c2cccc(-c3ccccc3)c2)n1.
What is the InChIKey of 1-methyl-3-(3-phenylphenyl)-1,2,4-triazole?
The InChIKey is UAYYDWKKCJKUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-18-11-16-15(17-18)14-9-5-8-13(10-14)12-6-3-2-4-7-12/h2-11H,1H3.
What are the key properties of 1-methyl-3-(3-phenylphenyl)-1,2,4-triazole?
1-methyl-3-(3-phenylphenyl)-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-(3-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 59348213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).