1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole

C20H17N3 — CID 3756279

IUPAC1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole
SMILESCc1ccc(C=CCn2nnc3ccccc32)c2ccccc12
InChIInChI=1S/C20H17N3/c1-15-12-13-16(18-9-3-2-8-17(15)18)7-6-14-23-20-11-5-4-10-19(20)21-22-23/h2-13H,14H2,1H3
InChIKeyFIYPJKRKDWDARS-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.61
Rot. Bonds3

About 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole

1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole (PubChem CID 3756279) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole.

Molecular Properties

Compound Name1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole
PubChem CID3756279
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole
SMILESCc1ccc(C=CCn2nnc3ccccc32)c2ccccc12
InChIInChI=1S/C20H17N3/c1-15-12-13-16(18-9-3-2-8-17(15)18)7-6-14-23-20-11-5-4-10-19(20)21-22-23/h2-13H,14H2,1H3
InChIKeyFIYPJKRKDWDARS-UHFFFAOYSA-N
XLogP4.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-phenanthren-9-ylprop-2-enyl)benzotriazole
CID 4594407
1-[(E)-3-chloroprop-2-enyl]benzotriazole
CID 6037442
1-[2-(2,6-dimethylphenoxy)ethyl]benzotriazole
CID 6490953
1-(cyclopenta-2,4-dien-1-ylmethyl)benzotriazole
CID 24884001
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole
CID 26794182
(E)-2-(benzotriazol-1-yl)-N-[(Z)-[2-(benzotriazol-1-yl)-1-phenylethylidene]amino]-1-phenylethanimine
CID 6525569
1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
CID 6490952
1-[2-(2,4-dimethylphenyl)ethyl]benzotriazole
CID 101452435
1-[3-(2-methylphenoxy)propyl]benzotriazole
CID 3161273

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole?
The IUPAC name of 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole (CID 3756279) is 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole.
What is the SMILES notation for 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole?
The canonical SMILES for 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole is Cc1ccc(C=CCn2nnc3ccccc32)c2ccccc12.
What is the InChIKey of 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole?
The InChIKey is FIYPJKRKDWDARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-15-12-13-16(18-9-3-2-8-17(15)18)7-6-14-23-20-11-5-4-10-19(20)21-22-23/h2-13H,14H2,1H3.
What are the key properties of 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole?
1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole has a molecular weight of 299.38 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole is sourced from PubChem (CID 3756279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).