3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine

C14H10N4S — CID 122450319

IUPAC3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine
SMILESC(=C/c1nnc(-c2ccccc2)nn1)\c1ccsc1
InChIInChI=1S/C14H10N4S/c1-2-4-12(5-3-1)14-17-15-13(16-18-14)7-6-11-8-9-19-10-11/h1-10H/b7-6+
InChIKeyUFMPJJLMTGQVNH-VOTSOKGWSA-N
MW266.33 g/mol
LogP3.17
Rot. Bonds3

About 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine

3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine (PubChem CID 122450319) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine
PubChem CID122450319
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine
SMILESC(=C/c1nnc(-c2ccccc2)nn1)\c1ccsc1
InChIInChI=1S/C14H10N4S/c1-2-4-12(5-3-1)14-17-15-13(16-18-14)7-6-11-8-9-19-10-11/h1-10H/b7-6+
InChIKeyUFMPJJLMTGQVNH-VOTSOKGWSA-N
XLogP3.17
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine?
The IUPAC name of 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine (CID 122450319) is 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine.
What is the SMILES notation for 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine?
The canonical SMILES for 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine is C(=C/c1nnc(-c2ccccc2)nn1)\c1ccsc1.
What is the InChIKey of 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine?
The InChIKey is UFMPJJLMTGQVNH-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10N4S/c1-2-4-12(5-3-1)14-17-15-13(16-18-14)7-6-11-8-9-19-10-11/h1-10H/b7-6+.
What are the key properties of 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine?
3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine has a molecular weight of 266.33 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[(E)-2-thiophen-3-ylethenyl]-1,2,4,5-tetrazine is sourced from PubChem (CID 122450319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).