6-ethyl-3-methyl-4H-1,2,4-triazin-5-one

C6H9N3O — CID 143405001

IUPAC6-ethyl-3-methyl-4H-1,2,4-triazin-5-one
SMILESCCc1nnc(C)[nH]c1=O
InChIInChI=1S/C6H9N3O/c1-3-5-6(10)7-4(2)8-9-5/h3H2,1-2H3,(H,7,8,10)
InChIKeyABBJEKRJPZSZFD-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.04
Rot. Bonds1

About 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one

6-ethyl-3-methyl-4H-1,2,4-triazin-5-one (PubChem CID 143405001) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-ethyl-3-methyl-4H-1,2,4-triazin-5-one
PubChem CID143405001
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name6-ethyl-3-methyl-4H-1,2,4-triazin-5-one
SMILESCCc1nnc(C)[nH]c1=O
InChIInChI=1S/C6H9N3O/c1-3-5-6(10)7-4(2)8-9-5/h3H2,1-2H3,(H,7,8,10)
InChIKeyABBJEKRJPZSZFD-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dimethyl-1,2,4-triazin-5-ol
CID 135789691
3-butyl-6-methyl-4H-1,2,4-triazin-5-one
CID 135744733
3-tert-butyl-6-methyl-4H-1,2,4-triazin-5-one
CID 136008535
6-tert-Butyl-3-methyl-1,2,4-triazin-5(2H)-one
CID 136230268
6-(1-aminoethyl)-3-methyl-1,2,4-triazin-5(2H)-one
CID 137158008
N-ethanimidoylbutanamide
CID 152773111
3-methyl-6-propan-2-yl-4H-1,2,4-triazin-5-one
CID 162772403
6-methyl-3-propan-2-yl-4H-1,2,4-triazin-5-one
CID 171101109
N-butanimidoylbutanamide
CID 173088619
6-Methyl-3-propargyl-1,2,4-triazin-5(2h)-one
CID 137235441

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one (CID 143405001) is 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one is CCc1nnc(C)[nH]c1=O.
What is the InChIKey of 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is ABBJEKRJPZSZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-5-6(10)7-4(2)8-9-5/h3H2,1-2H3,(H,7,8,10).
What are the key properties of 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one?
6-ethyl-3-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 139.16 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 143405001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).