5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid

C11H9N3O2 — CID 139449286

IUPAC5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1/C=C/c1ccccc1
InChIInChI=1S/C11H9N3O2/c15-11(16)10-9(12-14-13-10)7-6-8-4-2-1-3-5-8/h1-7H,(H,15,16)(H,12,13,14)/b7-6+
InChIKeyKCPWPBPKZZFPAO-VOTSOKGWSA-N
MW215.21 g/mol
LogP1.67
Rot. Bonds3

About 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid

5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid (PubChem CID 139449286) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid
PubChem CID139449286
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid
SMILESO=C(O)c1n[nH]nc1/C=C/c1ccccc1
InChIInChI=1S/C11H9N3O2/c15-11(16)10-9(12-14-13-10)7-6-8-4-2-1-3-5-8/h1-7H,(H,15,16)(H,12,13,14)/b7-6+
InChIKeyKCPWPBPKZZFPAO-VOTSOKGWSA-N
XLogP1.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(E)-2-[4-(2,4-dimethylphenyl)phenyl]ethenyl]-2H-triazole-4-carboxylic acid
CID 139449357
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
acetic acid;stilbene
CID 172803728
5-(2-phenylethenyl)-1,3-thiazole-4-carboxylic acid
CID 174437108
3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid
CID 23061534
propanedioate;(E)-stilbene
CID 19773481
4-[(E)-2-(1H-indazol-3-yl)ethenyl]benzoic acid
CID 11437002
5-phenyl-2-[(E)-2-phenylethenyl]pyridine-3-carboxylic acid
CID 142817182
CID 70567885
CID 70567885
CID 70569152
CID 70569152
stilbene;sulfuric acid
CID 67612140
1-[5-(2-phenylethenyl)-1H-pyrazol-3-yl]propan-1-one
CID 4558473

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid?
The IUPAC name of 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid (CID 139449286) is 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid.
What is the SMILES notation for 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid?
The canonical SMILES for 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid is O=C(O)c1n[nH]nc1/C=C/c1ccccc1.
What is the InChIKey of 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid?
The InChIKey is KCPWPBPKZZFPAO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-11(16)10-9(12-14-13-10)7-6-8-4-2-1-3-5-8/h1-7H,(H,15,16)(H,12,13,14)/b7-6+.
What are the key properties of 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid?
5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-phenylethenyl]-2H-triazole-4-carboxylic acid is sourced from PubChem (CID 139449286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).