3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole

C23H17N3 — CID 58240216

IUPAC3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole
SMILESCc1nnc(-c2ccc3ccccc3c2)n1-c1cccc2ccccc12
InChIInChI=1S/C23H17N3/c1-16-24-25-23(20-14-13-17-7-2-3-9-19(17)15-20)26(16)22-12-6-10-18-8-4-5-11-21(18)22/h2-15H,1H3
InChIKeyBAPKSHFIXFGBBF-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.55
Rot. Bonds2

About 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole

3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole (PubChem CID 58240216) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole
PubChem CID58240216
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole
SMILESCc1nnc(-c2ccc3ccccc3c2)n1-c1cccc2ccccc12
InChIInChI=1S/C23H17N3/c1-16-24-25-23(20-14-13-17-7-2-3-9-19(17)15-20)26(16)22-12-6-10-18-8-4-5-11-21(18)22/h2-15H,1H3
InChIKeyBAPKSHFIXFGBBF-UHFFFAOYSA-N
XLogP5.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
CID 91542919
3-methyl-5-methylsulfanyl-4-naphthalen-1-yl-1,2,4-triazole
CID 163991724
5-naphthalen-1-yl-7-(4-naphthalen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170929713
(9-naphthalen-1-yl-8-naphthalen-2-ylpurin-6-yl)hydrazine
CID 162352859
9-naphthalen-1-yl-3-(4-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-phenanthren-9-ylphenyl)carbazole
CID 160833485
9-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)carbazole;9-naphthalen-1-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 164975300
7-naphthalen-1-yl-3-(7-naphthalen-2-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351193
9-naphthalen-1-yl-1-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]carbazole
CID 168807795
7-naphthalen-1-yl-5,9-dinaphthalen-2-ylbenzo[c]carbazole
CID 163423913
3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 162264966
6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene
CID 20740992
4-[4-(4,5-diphenylpyren-2-yl)phenyl]-3,5-dinaphthalen-2-yl-1,2,4-triazole
CID 142701553

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole?
The IUPAC name of 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole (CID 58240216) is 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole?
The canonical SMILES for 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole is Cc1nnc(-c2ccc3ccccc3c2)n1-c1cccc2ccccc12.
What is the InChIKey of 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole?
The InChIKey is BAPKSHFIXFGBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-16-24-25-23(20-14-13-17-7-2-3-9-19(17)15-20)26(16)22-12-6-10-18-8-4-5-11-21(18)22/h2-15H,1H3.
What are the key properties of 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole?
3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole has a molecular weight of 335.41 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-naphthalen-1-yl-5-naphthalen-2-yl-1,2,4-triazole is sourced from PubChem (CID 58240216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).