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

C10H9N5O — CID 118351652

IUPAC1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2nnc(C)nn2)nc1
InChIInChI=1S/C10H9N5O/c1-6(16)8-3-4-9(11-5-8)10-14-12-7(2)13-15-10/h3-5H,1-2H3
InChIKeyWCCMKELBNRDKNP-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.84
Rot. Bonds2

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

1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone (PubChem CID 118351652) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone
PubChem CID118351652
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2nnc(C)nn2)nc1
InChIInChI=1S/C10H9N5O/c1-6(16)8-3-4-9(11-5-8)10-14-12-7(2)13-15-10/h3-5H,1-2H3
InChIKeyWCCMKELBNRDKNP-UHFFFAOYSA-N
XLogP0.84
TPSA81.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone (CID 118351652) is 1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2nnc(C)nn2)nc1.
What is the InChIKey of 1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone?
The InChIKey is WCCMKELBNRDKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-6(16)8-3-4-9(11-5-8)10-14-12-7(2)13-15-10/h3-5H,1-2H3.
What are the key properties of 1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone?
1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone has a molecular weight of 215.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-methyl-1,2,4,5-tetrazin-3-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 118351652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).