1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole

C15H13N3 — CID 26794182

IUPAC1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole
SMILESCc1ccccc1/C=C/n1nnc2ccccc21
InChIInChI=1S/C15H13N3/c1-12-6-2-3-7-13(12)10-11-18-15-9-5-4-8-14(15)16-17-18/h2-11H,1H3/b11-10+
InChIKeyPTDFDDMTNLUQNZ-ZHACJKMWSA-N
MW235.29 g/mol
LogP3.37
Rot. Bonds2

About 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole

1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole (PubChem CID 26794182) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole.

Molecular Properties

Compound Name1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole
PubChem CID26794182
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole
SMILESCc1ccccc1/C=C/n1nnc2ccccc21
InChIInChI=1S/C15H13N3/c1-12-6-2-3-7-13(12)10-11-18-15-9-5-4-8-14(15)16-17-18/h2-11H,1H3/b11-10+
InChIKeyPTDFDDMTNLUQNZ-ZHACJKMWSA-N
XLogP3.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-1,3-bis(2-methylphenyl)prop-2-enyl]benzotriazole
CID 56653868
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
CID 68739763
CID 68739763
1-[3-(4-methylnaphthalen-1-yl)prop-2-enyl]benzotriazole
CID 3756279
copper;tetrakis(1-methylbenzotriazole);hydrate
CID 5259674
benzotriazol-1-yl(trimethyl)stannane
CID 165357783
1-(benzotriazol-1-yl)-N-dodecylmethanimine
CID 175138281
1-[3-(benzenesulfonyl)-3-benzyl-4-phenylbut-1-enyl]benzotriazole
CID 4593153
tris(benzotriazol-1-yl)borane
CID 101187740
methane;1-methoxybenzotriazole
CID 161160564
ethyl 3-(benzotriazol-1-yl)-2-(pyrrolidin-1-ylmethyl)prop-2-enoate
CID 3747833

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole?
The IUPAC name of 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole (CID 26794182) is 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole.
What is the SMILES notation for 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole?
The canonical SMILES for 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole is Cc1ccccc1/C=C/n1nnc2ccccc21.
What is the InChIKey of 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole?
The InChIKey is PTDFDDMTNLUQNZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H13N3/c1-12-6-2-3-7-13(12)10-11-18-15-9-5-4-8-14(15)16-17-18/h2-11H,1H3/b11-10+.
What are the key properties of 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole?
1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole has a molecular weight of 235.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-methylphenyl)ethenyl]benzotriazole is sourced from PubChem (CID 26794182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).