4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole

C20H17N3O — CID 24793540

IUPAC4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole
SMILESCOc1ccc(-c2cn(Cc3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C20H17N3O/c1-24-19-10-8-17(9-11-19)20-14-23(22-21-20)13-15-6-7-16-4-2-3-5-18(16)12-15/h2-12,14H,13H2,1H3
InChIKeyRHYJIHDKMOKHRD-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.16
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole

4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole (PubChem CID 24793540) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole
PubChem CID24793540
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole
SMILESCOc1ccc(-c2cn(Cc3ccc4ccccc4c3)nn2)cc1
InChIInChI=1S/C20H17N3O/c1-24-19-10-8-17(9-11-19)20-14-23(22-21-20)13-15-6-7-16-4-2-3-5-18(16)12-15/h2-12,14H,13H2,1H3
InChIKeyRHYJIHDKMOKHRD-UHFFFAOYSA-N
XLogP4.16
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
7-(6-Methoxynaphthalyl)Triazolylheptahydroxamic Acid
CID 44585332
(3R)-3-[4-(4-methoxyphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70674993
(3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70980234
2-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]anthracene-9,10-dione
CID 24789335
1-[(3-Methoxyphenyl)methyl]-4-(4-pentylphenyl)triazole
CID 24789346
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
[4-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]-phenylmethanone
CID 24793586
6-(6-Methoxynaphthalyl)Triazolylhexahydroxamic Acid
CID 25014718
N-hydroxy-8-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]octanamide
CID 46229585
1-(2-Methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)triazol-1-yl]butyl]piperazine
CID 72191065
1-(2-Methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine
CID 122180575

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole?
The IUPAC name of 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole (CID 24793540) is 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole is COc1ccc(-c2cn(Cc3ccc4ccccc4c3)nn2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole?
The InChIKey is RHYJIHDKMOKHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-24-19-10-8-17(9-11-19)20-14-23(22-21-20)13-15-6-7-16-4-2-3-5-18(16)12-15/h2-12,14H,13H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole?
4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole has a molecular weight of 315.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole is sourced from PubChem (CID 24793540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).