5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile

C22H16N4O — CID 141428072

IUPAC5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
SMILESCOc1ccc2ccccc2c1C=Cc1ccc(-c2n[nH]nc2C#N)cc1
InChIInChI=1S/C22H16N4O/c1-27-21-13-11-16-4-2-3-5-18(16)19(21)12-8-15-6-9-17(10-7-15)22-20(14-23)24-26-25-22/h2-13H,1H3,(H,24,25,26)
InChIKeyLSWGMQSJROEYEZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.68
Rot. Bonds4

About 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile

5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile (PubChem CID 141428072) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
PubChem CID141428072
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
SMILESCOc1ccc2ccccc2c1C=Cc1ccc(-c2n[nH]nc2C#N)cc1
InChIInChI=1S/C22H16N4O/c1-27-21-13-11-16-4-2-3-5-18(16)19(21)12-8-15-6-9-17(10-7-15)22-20(14-23)24-26-25-22/h2-13H,1H3,(H,24,25,26)
InChIKeyLSWGMQSJROEYEZ-UHFFFAOYSA-N
XLogP4.68
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-[2-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]ethenyl]naphthalene
CID 75293754
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
5-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122447293
5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477715
5-[3-methyl-5-[(E)-2-phenylethenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477685
(E)-4-(2-methoxynaphthalen-1-yl)but-3-en-2-amine
CID 103091403
5-[4-(2-fluorophenyl)phenyl]-2H-triazole-4-carbonitrile
CID 122479332
5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2H-triazole-4-carbonitrile
CID 122478309
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
(E)-1-(2-methoxynaphthalen-1-yl)-N-trimethylsilylmethanimine
CID 15419490
2-[(Z)-2-(2-methoxynaphthalen-1-yl)ethenyl]-1-methyl-5,6-dihydro-4H-pyrimidine
CID 10446399
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile (CID 141428072) is 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile is COc1ccc2ccccc2c1C=Cc1ccc(-c2n[nH]nc2C#N)cc1.
What is the InChIKey of 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile?
The InChIKey is LSWGMQSJROEYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-27-21-13-11-16-4-2-3-5-18(16)19(21)12-8-15-6-9-17(10-7-15)22-20(14-23)24-26-25-22/h2-13H,1H3,(H,24,25,26).
What are the key properties of 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile?
5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile has a molecular weight of 352.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(2-methoxynaphthalen-1-yl)ethenyl]phenyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 141428072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).