1-(1-phenylethenyl)benzotriazole

C14H11N3 — CID 14595071

IUPAC1-(1-phenylethenyl)benzotriazole
SMILESC=C(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C14H11N3/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)15-16-17/h2-10H,1H2
InChIKeyTYQJUBFDGAOBKN-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.95
Rot. Bonds2

About 1-(1-phenylethenyl)benzotriazole

1-(1-phenylethenyl)benzotriazole (PubChem CID 14595071) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(1-phenylethenyl)benzotriazole.

Molecular Properties

Compound Name1-(1-phenylethenyl)benzotriazole
PubChem CID14595071
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name1-(1-phenylethenyl)benzotriazole
SMILESC=C(c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C14H11N3/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)15-16-17/h2-10H,1H2
InChIKeyTYQJUBFDGAOBKN-UHFFFAOYSA-N
XLogP2.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethenyl)benzotriazole?
The IUPAC name of 1-(1-phenylethenyl)benzotriazole (CID 14595071) is 1-(1-phenylethenyl)benzotriazole.
What is the SMILES notation for 1-(1-phenylethenyl)benzotriazole?
The canonical SMILES for 1-(1-phenylethenyl)benzotriazole is C=C(c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-(1-phenylethenyl)benzotriazole?
The InChIKey is TYQJUBFDGAOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)15-16-17/h2-10H,1H2.
What are the key properties of 1-(1-phenylethenyl)benzotriazole?
1-(1-phenylethenyl)benzotriazole has a molecular weight of 221.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethenyl)benzotriazole is sourced from PubChem (CID 14595071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).