6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid

C15H12N6O2 — CID 129266842

IUPAC6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid
SMILESCCc1ccc(-c2nnc(-c3ccc(C(=O)O)cn3)nn2)nc1
InChIInChI=1S/C15H12N6O2/c1-2-9-3-5-11(16-7-9)13-18-20-14(21-19-13)12-6-4-10(8-17-12)15(22)23/h3-8H,2H2,1H3,(H,22,23)
InChIKeyCCRBWZWXXMDLPB-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.65
Rot. Bonds4

About 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid

6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid (PubChem CID 129266842) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid
PubChem CID129266842
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid
SMILESCCc1ccc(-c2nnc(-c3ccc(C(=O)O)cn3)nn2)nc1
InChIInChI=1S/C15H12N6O2/c1-2-9-3-5-11(16-7-9)13-18-20-14(21-19-13)12-6-4-10(8-17-12)15(22)23/h3-8H,2H2,1H3,(H,22,23)
InChIKeyCCRBWZWXXMDLPB-UHFFFAOYSA-N
XLogP1.65
TPSA114.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid (CID 129266842) is 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid is CCc1ccc(-c2nnc(-c3ccc(C(=O)O)cn3)nn2)nc1.
What is the InChIKey of 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid?
The InChIKey is CCRBWZWXXMDLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c1-2-9-3-5-11(16-7-9)13-18-20-14(21-19-13)12-6-4-10(8-17-12)15(22)23/h3-8H,2H2,1H3,(H,22,23).
What are the key properties of 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid?
6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 129266842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).