1-(3-methyl-1,2,4-triazin-5-yl)ethanone

C6H7N3O — CID 13359978

IUPAC1-(3-methyl-1,2,4-triazin-5-yl)ethanone
SMILESCC(=O)c1cnnc(C)n1
InChIInChI=1S/C6H7N3O/c1-4(10)6-3-7-9-5(2)8-6/h3H,1-2H3
InChIKeyUJPXJGIEIYRBJC-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.38
Rot. Bonds1

About 1-(3-methyl-1,2,4-triazin-5-yl)ethanone

1-(3-methyl-1,2,4-triazin-5-yl)ethanone (PubChem CID 13359978) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-triazin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-triazin-5-yl)ethanone
PubChem CID13359978
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name1-(3-methyl-1,2,4-triazin-5-yl)ethanone
SMILESCC(=O)c1cnnc(C)n1
InChIInChI=1S/C6H7N3O/c1-4(10)6-3-7-9-5(2)8-6/h3H,1-2H3
InChIKeyUJPXJGIEIYRBJC-UHFFFAOYSA-N
XLogP0.38
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-diacetylpyrazine-2-carboxamide
CID 155203547
1-(6-aminopyrazin-2-yl)ethanone
CID 146315593
1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone
CID 14973460
1-[1-(2-methylpyrimidin-5-yl)triazol-4-yl]ethanone
CID 130948569
5-methylpyridazine-3-carboxamide
CID 68633720
methyl 3-amino-1,2,4-triazine-5-carboxylate
CID 105430024
1-(1,5-dimethylpyrazol-3-yl)ethanone;hydrofluoride
CID 159984372
1-(2-chloro-6-methylpyrimidin-4-yl)ethanone
CID 142838976
1-(6-chloro-2-methylsulfonylpyrimidin-4-yl)ethanone
CID 133056763
1-pyrido[3,4-b]pyrazin-3-ylethanone
CID 84654616
1-(oxadiazol-4-yl)ethanone
CID 174249984
1-(5-bromo-2-methylpyrimidin-4-yl)ethanone
CID 83886527

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-triazin-5-yl)ethanone?
The IUPAC name of 1-(3-methyl-1,2,4-triazin-5-yl)ethanone (CID 13359978) is 1-(3-methyl-1,2,4-triazin-5-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-1,2,4-triazin-5-yl)ethanone?
The canonical SMILES for 1-(3-methyl-1,2,4-triazin-5-yl)ethanone is CC(=O)c1cnnc(C)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-triazin-5-yl)ethanone?
The InChIKey is UJPXJGIEIYRBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-4(10)6-3-7-9-5(2)8-6/h3H,1-2H3.
What are the key properties of 1-(3-methyl-1,2,4-triazin-5-yl)ethanone?
1-(3-methyl-1,2,4-triazin-5-yl)ethanone has a molecular weight of 137.14 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-triazin-5-yl)ethanone is sourced from PubChem (CID 13359978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).