3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline

C14H11N5 — CID 122450322

IUPAC3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline
SMILESCc1nnc(/C=C/c2cnc3ccccc3c2)nn1
InChIInChI=1S/C14H11N5/c1-10-16-18-14(19-17-10)7-6-11-8-12-4-2-3-5-13(12)15-9-11/h2-9H,1H3/b7-6+
InChIKeyWWCFFFHFRRIXJM-VOTSOKGWSA-N
MW249.28 g/mol
LogP2.29
Rot. Bonds2

About 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline

3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline (PubChem CID 122450322) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline.

Molecular Properties

Compound Name3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline
PubChem CID122450322
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline
SMILESCc1nnc(/C=C/c2cnc3ccccc3c2)nn1
InChIInChI=1S/C14H11N5/c1-10-16-18-14(19-17-10)7-6-11-8-12-4-2-3-5-13(12)15-9-11/h2-9H,1H3/b7-6+
InChIKeyWWCFFFHFRRIXJM-VOTSOKGWSA-N
XLogP2.29
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline?
The IUPAC name of 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline (CID 122450322) is 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline.
What is the SMILES notation for 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline?
The canonical SMILES for 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline is Cc1nnc(/C=C/c2cnc3ccccc3c2)nn1.
What is the InChIKey of 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline?
The InChIKey is WWCFFFHFRRIXJM-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11N5/c1-10-16-18-14(19-17-10)7-6-11-8-12-4-2-3-5-13(12)15-9-11/h2-9H,1H3/b7-6+.
What are the key properties of 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline?
3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline has a molecular weight of 249.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline is sourced from PubChem (CID 122450322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).