1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone

C7H9N3O — CID 14973460

IUPAC1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone
SMILESCC(=O)c1nnc(C)nc1C
InChIInChI=1S/C7H9N3O/c1-4-7(5(2)11)10-9-6(3)8-4/h1-3H3
InChIKeyNFFDUBIUZMQSEN-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.69
Rot. Bonds1

About 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone

1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone (PubChem CID 14973460) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone
PubChem CID14973460
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone
SMILESCC(=O)c1nnc(C)nc1C
InChIInChI=1S/C7H9N3O/c1-4-7(5(2)11)10-9-6(3)8-4/h1-3H3
InChIKeyNFFDUBIUZMQSEN-UHFFFAOYSA-N
XLogP0.69
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone?
The IUPAC name of 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone (CID 14973460) is 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone is CC(=O)c1nnc(C)nc1C.
What is the InChIKey of 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone?
The InChIKey is NFFDUBIUZMQSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-4-7(5(2)11)10-9-6(3)8-4/h1-3H3.
What are the key properties of 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone?
1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone has a molecular weight of 151.17 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1,2,4-triazin-6-yl)ethanone is sourced from PubChem (CID 14973460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).