1-benzyl-5-naphthalen-1-yl-4-phenyltriazole

C25H19N3 — CID 102474946

IUPAC1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
SMILESc1ccc(Cn2nnc(-c3ccccc3)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C25H19N3/c1-3-10-19(11-4-1)18-28-25(24(26-27-28)21-13-5-2-6-14-21)23-17-9-15-20-12-7-8-16-22(20)23/h1-17H,18H2
InChIKeyHMXFCKHOLIJRNI-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.81
Rot. Bonds4

About 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole

1-benzyl-5-naphthalen-1-yl-4-phenyltriazole (PubChem CID 102474946) has the molecular formula C25H19N3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole.

Molecular Properties

Compound Name1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
PubChem CID102474946
Molecular FormulaC25H19N3
Molecular Weight361.45 g/mol
Exact Mass361.16
IUPAC Name1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
SMILESc1ccc(Cn2nnc(-c3ccccc3)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C25H19N3/c1-3-10-19(11-4-1)18-28-25(24(26-27-28)21-13-5-2-6-14-21)23-17-9-15-20-12-7-8-16-22(20)23/h1-17H,18H2
InChIKeyHMXFCKHOLIJRNI-UHFFFAOYSA-N
XLogP5.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
(1R)-1-(5-naphthalen-1-yl-4-phenyltriazol-1-yl)ethanol
CID 134822321
1-benzyl-4-ethyl-5-phenyltriazole
CID 123573557
1-benzyl-4-(2-methylphenyl)triazolo[4,5-c]quinoline
CID 102583421
1-benzyl-5-chloro-4-(4-methylphenyl)triazole
CID 72701212
(4,5-diphenyltriazol-1-yl)methanol
CID 174976406
1-benzyl-5-chloro-4-(4-methoxyphenyl)triazole
CID 72701213
1-[5-[1-benzyl-5-(2-methylphenyl)triazol-4-yl]-3-methylindazol-1-yl]ethanone
CID 68720647
1-[2-[4-(3-benzyl-5-phenyltriazol-4-yl)phenoxy]ethyl]piperidine
CID 162646932
[1-(naphthalen-1-ylmethyl)-5-phenyltriazol-4-yl]methanol
CID 94943470
(3-benzyl-5-phenyltriazol-4-yl)methyl acetate
CID 138980861

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole?
The IUPAC name of 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole (CID 102474946) is 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole.
What is the SMILES notation for 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole?
The canonical SMILES for 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole is c1ccc(Cn2nnc(-c3ccccc3)c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole?
The InChIKey is HMXFCKHOLIJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3/c1-3-10-19(11-4-1)18-28-25(24(26-27-28)21-13-5-2-6-14-21)23-17-9-15-20-12-7-8-16-22(20)23/h1-17H,18H2.
What are the key properties of 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole?
1-benzyl-5-naphthalen-1-yl-4-phenyltriazole has a molecular weight of 361.45 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-naphthalen-1-yl-4-phenyltriazole is sourced from PubChem (CID 102474946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).