2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone

C59H50N28O8 — CID 159304190

IUPAC2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2nnc(C)nn2)cn1.CC(=O)c1ccc(-c2nnc(C)nn2)nc1.CC(=O)c1ccc(-c2nncnn2)cn1.CC(=O)c1ccc(-c2nncnn2)nc1.Cc1cc(-c2nncnn2)ccc1C(=O)O.Cc1nnc(-c2ccc(C(=O)O)c(C)c2)nn1
InChIInChI=1S/C11H10N4O2.2C10H9N5O.C10H8N4O2.2C9H7N5O/c1-6-5-8(3-4-9(6)11(16)17)10-14-12-7(2)13-15-10;1-6(16)9-4-3-8(5-11-9)10-14-12-7(2)13-15-10;1-6(16)8-3-4-9(11-5-8)10-14-12-7(2)13-15-10;1-6-4-7(2-3-8(6)10(15)16)9-13-11-5-12-14-9;1-6(15)8-3-2-7(4-10-8)9-13-11-5-12-14-9;1-6(15)7-2-3-8(10-4-7)9-13-11-5-12-14-9/h3-5H,1-2H3,(H,16,17);2*3-5H,1-2H3;2-5H,1H3,(H,15,16);2*2-5H,1H3
InChIKeyLBSBQJKUECCGOB-UHFFFAOYSA-N
MW1279.24 g/mol
LogP4.93
Rot. Bonds12

About 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone

2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone (PubChem CID 159304190) has the molecular formula C59H50N28O8 and a molecular weight of 1279.24 g/mol. Its IUPAC name is 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone
PubChem CID159304190
Molecular FormulaC59H50N28O8
Molecular Weight1279.24 g/mol
Exact Mass1278.44
IUPAC Name2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2nnc(C)nn2)cn1.CC(=O)c1ccc(-c2nnc(C)nn2)nc1.CC(=O)c1ccc(-c2nncnn2)cn1.CC(=O)c1ccc(-c2nncnn2)nc1.Cc1cc(-c2nncnn2)ccc1C(=O)O.Cc1nnc(-c2ccc(C(=O)O)c(C)c2)nn1
InChIInChI=1S/C11H10N4O2.2C10H9N5O.C10H8N4O2.2C9H7N5O/c1-6-5-8(3-4-9(6)11(16)17)10-14-12-7(2)13-15-10;1-6(16)9-4-3-8(5-11-9)10-14-12-7(2)13-15-10;1-6(16)8-3-4-9(11-5-8)10-14-12-7(2)13-15-10;1-6-4-7(2-3-8(6)10(15)16)9-13-11-5-12-14-9;1-6(15)8-3-2-7(4-10-8)9-13-11-5-12-14-9;1-6(15)7-2-3-8(10-4-7)9-13-11-5-12-14-9/h3-5H,1-2H3,(H,16,17);2*3-5H,1-2H3;2-5H,1H3,(H,15,16);2*2-5H,1H3
InChIKeyLBSBQJKUECCGOB-UHFFFAOYSA-N
XLogP4.93
TPSA503.80 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds12
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001279.24
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Analyze 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone?
The IUPAC name of 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone (CID 159304190) is 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2nnc(C)nn2)cn1.CC(=O)c1ccc(-c2nnc(C)nn2)nc1.CC(=O)c1ccc(-c2nncnn2)cn1.CC(=O)c1ccc(-c2nncnn2)nc1.Cc1cc(-c2nncnn2)ccc1C(=O)O.Cc1nnc(-c2ccc(C(=O)O)c(C)c2)nn1.
What is the InChIKey of 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone?
The InChIKey is LBSBQJKUECCGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2.2C10H9N5O.C10H8N4O2.2C9H7N5O/c1-6-5-8(3-4-9(6)11(16)17)10-14-12-7(2)13-15-10;1-6(16)9-4-3-8(5-11-9)10-14-12-7(2)13-15-10;1-6(16)8-3-4-9(11-5-8)10-14-12-7(2)13-15-10;1-6-4-7(2-3-8(6)10(15)16)9-13-11-5-12-14-9;1-6(15)8-3-2-7(4-10-8)9-13-11-5-12-14-9;1-6(15)7-2-3-8(10-4-7)9-13-11-5-12-14-9/h3-5H,1-2H3,(H,16,17);2*3-5H,1-2H3;2-5H,1H3,(H,15,16);2*2-5H,1H3.
What are the key properties of 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone?
2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone has a molecular weight of 1279.24 g/mol, XLogP of 4.93, 12 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(6-methyl-1,2,4,5-tetrazin-3-yl)benzoic acid;2-methyl-4-(1,2,4,5-tetrazin-3-yl)benzoic acid;1-[5-(6-methyl-1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone;1-[5-(1,2,4,5-tetrazin-3-yl)-2-pyridinyl]ethanone;1-[6-(1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 159304190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).