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

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Related Compounds

1-(6-methyl-3-pyridinyl)ethanone;hydrochloride
CID 67521674
1-[6-[4-(hydroxymethyl)phenyl]-3-pyridinyl]ethanone
CID 39773387
1-(6-iodo-3-pyridinyl)ethanone
CID 23591882
1-[6-[5-(difluoromethyl)thiophen-2-yl]-3-pyridinyl]ethanone
CID 166320249
6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid
CID 59153724
1-[4-(2-methylpyrimidin-5-yl)phenyl]ethanone
CID 105465962
1-[6-(3-chloro-5-fluorophenyl)-3-pyridinyl]ethanone
CID 175646991
1-[6-[(1S)-1-(methylamino)ethyl]-3-pyridinyl]ethanone
CID 130654774
2-(5-acetyl-2-pyridinyl)acetic acid
CID 122715563
ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;methyl 6-(5-acetyl-2-pyridinyl)pyridine-3-carboxylate;thionyl dichloride
CID 157147415
4-(5-acetyl-2-pyridinyl)-N-naphthalen-1-ylbenzamide
CID 170421596

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).