4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole

C25H19N3 — CID 144738826

IUPAC4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole
SMILESCc1cc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c2ccccc2c1
InChIInChI=1S/C25H19N3/c1-18-16-21-14-8-9-15-22(21)23(17-18)28-24(19-10-4-2-5-11-19)26-27-25(28)20-12-6-3-7-13-20/h2-17H,1H3
InChIKeyCQCFGZUKKSQNMX-UHFFFAOYSA-N
MW361.45 g/mol
LogP6.06
Rot. Bonds3

About 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole

4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole (PubChem CID 144738826) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole
PubChem CID144738826
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole
SMILESCc1cc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c2ccccc2c1
InChIInChI=1S/C25H19N3/c1-18-16-21-14-8-9-15-22(21)23(17-18)28-24(19-10-4-2-5-11-19)26-27-25(28)20-12-6-3-7-13-20/h2-17H,1H3
InChIKeyCQCFGZUKKSQNMX-UHFFFAOYSA-N
XLogP6.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-diphenyl-1,2,4-triazol-4-yl)-2,6-dimethylpyridine
CID 130422868
1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole
CID 163207259
4-naphthalen-2-yl-3,5-diphenyl-1,2,4-triazole
CID 12778947
8-[2-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-22-phenanthren-9-yl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 129254737
9-[4-[3-phenyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-4-yl]phenyl]carbazole
CID 59845018
3,5-bis(3,5-dimethylphenyl)-4-phenyl-1,2,4-triazole
CID 58609348
3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole
CID 58240216
3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 58518663
3,5-bis(3-methylphenyl)-4-phenyl-1,2,4-triazole
CID 58390339
3-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-4,5-diphenyl-1,2,4-triazole;3-(4-methylphenyl)-5-[3-[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole
CID 91109900
1,3-dimethylnaphthalene;ethane
CID 145447624
1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole (CID 144738826) is 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole is Cc1cc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c2ccccc2c1.
What is the InChIKey of 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole?
The InChIKey is CQCFGZUKKSQNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-18-16-21-14-8-9-15-22(21)23(17-18)28-24(19-10-4-2-5-11-19)26-27-25(28)20-12-6-3-7-13-20/h2-17H,1H3.
What are the key properties of 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole?
4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole has a molecular weight of 361.45 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylnaphthalen-1-yl)-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 144738826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).