3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole

C30H24N6 — CID 138726301

IUPAC3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole
SMILESCc1nc(-c2cccc(Cc3nnn(-c4ccccc4)c3-c3ccccc3)c2)nn1-c1ccccc1
InChIInChI=1S/C30H24N6/c1-22-31-30(33-35(22)26-16-7-3-8-17-26)25-15-11-12-23(20-25)21-28-29(24-13-5-2-6-14-24)36(34-32-28)27-18-9-4-10-19-27/h2-20H,21H2,1H3
InChIKeyAAPBXAHHFFMGNO-UHFFFAOYSA-N
MW468.56 g/mol
LogP6.08
Rot. Bonds6

About 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole

3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole (PubChem CID 138726301) has the molecular formula C30H24N6 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole
PubChem CID138726301
Molecular FormulaC30H24N6
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole
SMILESCc1nc(-c2cccc(Cc3nnn(-c4ccccc4)c3-c3ccccc3)c2)nn1-c1ccccc1
InChIInChI=1S/C30H24N6/c1-22-31-30(33-35(22)26-16-7-3-8-17-26)25-15-11-12-23(20-25)21-28-29(24-13-5-2-6-14-24)36(34-32-28)27-18-9-4-10-19-27/h2-20H,21H2,1H3
InChIKeyAAPBXAHHFFMGNO-UHFFFAOYSA-N
XLogP6.08
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-1-methyl-5-phenyltriazole
CID 102338119
2-[1-(3-methylphenyl)-5-phenyltriazol-4-yl]acetic acid
CID 82198087
1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
CID 140601898
[5-(4-methoxyphenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769366
[1-(3-methoxyphenyl)-5-(4-methylphenyl)triazol-4-yl]methanol
CID 56769452
4-(chloromethyl)-1,5-bis(3-methylphenyl)triazole
CID 56769786
2-[5-methyl-3-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-1,2,4-triazol-1-yl]phenol
CID 162491838
(4-methyl-1,5-diphenylpyrazol-3-yl)methanol
CID 22832035
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
[5-(3-chlorophenyl)-1-(3-methylphenyl)triazol-4-yl]methanol
CID 56769387
5-methyl-1-(2-methylphenyl)-3-phenyl-1,2,4-triazole
CID 71073412
5-benzyl-N-methyl-N,3-diphenyltriazol-4-amine
CID 155672832

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole?
The IUPAC name of 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole (CID 138726301) is 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole?
The canonical SMILES for 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole is Cc1nc(-c2cccc(Cc3nnn(-c4ccccc4)c3-c3ccccc3)c2)nn1-c1ccccc1.
What is the InChIKey of 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole?
The InChIKey is AAPBXAHHFFMGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6/c1-22-31-30(33-35(22)26-16-7-3-8-17-26)25-15-11-12-23(20-25)21-28-29(24-13-5-2-6-14-24)36(34-32-28)27-18-9-4-10-19-27/h2-20H,21H2,1H3.
What are the key properties of 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole?
3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole has a molecular weight of 468.56 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1,5-diphenyltriazol-4-yl)methyl]phenyl]-5-methyl-1-phenyl-1,2,4-triazole is sourced from PubChem (CID 138726301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).