4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole

C19H15N3 — CID 175040087

IUPAC4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole
SMILESCc1ccc(-c2cn[nH]n2)cc1-c1cccc2ccccc12
InChIInChI=1S/C19H15N3/c1-13-9-10-15(19-12-20-22-21-19)11-18(13)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,20,21,22)
InChIKeyQFKNBGHXFABVAD-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.60
Rot. Bonds2

About 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole

4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole (PubChem CID 175040087) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole
PubChem CID175040087
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole
SMILESCc1ccc(-c2cn[nH]n2)cc1-c1cccc2ccccc12
InChIInChI=1S/C19H15N3/c1-13-9-10-15(19-12-20-22-21-19)11-18(13)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,20,21,22)
InChIKeyQFKNBGHXFABVAD-UHFFFAOYSA-N
XLogP4.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole?
The IUPAC name of 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole (CID 175040087) is 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole.
What is the SMILES notation for 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole?
The canonical SMILES for 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole is Cc1ccc(-c2cn[nH]n2)cc1-c1cccc2ccccc12.
What is the InChIKey of 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole?
The InChIKey is QFKNBGHXFABVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-13-9-10-15(19-12-20-22-21-19)11-18(13)17-8-4-6-14-5-2-3-7-16(14)17/h2-12H,1H3,(H,20,21,22).
What are the key properties of 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole?
4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole has a molecular weight of 285.35 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3-naphthalen-1-ylphenyl)-2H-triazole is sourced from PubChem (CID 175040087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).