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

C14H11N7O2 — CID 129266826

IUPAC2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid
SMILESCCc1ccc(-c2nnc(-c3ncc(C(=O)O)cn3)nn2)nc1
InChIInChI=1S/C14H11N7O2/c1-2-8-3-4-10(15-5-8)11-18-20-13(21-19-11)12-16-6-9(7-17-12)14(22)23/h3-7H,2H2,1H3,(H,22,23)
InChIKeyGBFYBQNSOBRTNZ-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.05
Rot. Bonds4

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

2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid (PubChem CID 129266826) has the molecular formula C14H11N7O2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid
PubChem CID129266826
Molecular FormulaC14H11N7O2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid
SMILESCCc1ccc(-c2nnc(-c3ncc(C(=O)O)cn3)nn2)nc1
InChIInChI=1S/C14H11N7O2/c1-2-8-3-4-10(15-5-8)11-18-20-13(21-19-11)12-16-6-9(7-17-12)14(22)23/h3-7H,2H2,1H3,(H,22,23)
InChIKeyGBFYBQNSOBRTNZ-UHFFFAOYSA-N
XLogP1.05
TPSA127.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid (CID 129266826) is 2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid is CCc1ccc(-c2nnc(-c3ncc(C(=O)O)cn3)nn2)nc1.
What is the InChIKey of 2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid?
The InChIKey is GBFYBQNSOBRTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O2/c1-2-8-3-4-10(15-5-8)11-18-20-13(21-19-11)12-16-6-9(7-17-12)14(22)23/h3-7H,2H2,1H3,(H,22,23).
What are the key properties of 2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid?
2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid has a molecular weight of 309.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-ethyl-2-pyridinyl)-1,2,4,5-tetrazin-3-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 129266826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).