4-methyl-3-(methylamino)-1,2,4-triazin-5-one

C5H8N4O — CID 70555979

IUPAC4-methyl-3-(methylamino)-1,2,4-triazin-5-one
SMILESCNc1nncc(=O)n1C
InChIInChI=1S/C5H8N4O/c1-6-5-8-7-3-4(10)9(5)2/h3H,1-2H3,(H,6,8)
InChIKeyRWEFMYBKQKZGLG-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.78
Rot. Bonds1

About 4-methyl-3-(methylamino)-1,2,4-triazin-5-one

4-methyl-3-(methylamino)-1,2,4-triazin-5-one (PubChem CID 70555979) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 4-methyl-3-(methylamino)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-methyl-3-(methylamino)-1,2,4-triazin-5-one
PubChem CID70555979
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name4-methyl-3-(methylamino)-1,2,4-triazin-5-one
SMILESCNc1nncc(=O)n1C
InChIInChI=1S/C5H8N4O/c1-6-5-8-7-3-4(10)9(5)2/h3H,1-2H3,(H,6,8)
InChIKeyRWEFMYBKQKZGLG-UHFFFAOYSA-N
XLogP-0.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(methylamino)-1,2,4-triazin-5-one?
The IUPAC name of 4-methyl-3-(methylamino)-1,2,4-triazin-5-one (CID 70555979) is 4-methyl-3-(methylamino)-1,2,4-triazin-5-one.
What is the SMILES notation for 4-methyl-3-(methylamino)-1,2,4-triazin-5-one?
The canonical SMILES for 4-methyl-3-(methylamino)-1,2,4-triazin-5-one is CNc1nncc(=O)n1C.
What is the InChIKey of 4-methyl-3-(methylamino)-1,2,4-triazin-5-one?
The InChIKey is RWEFMYBKQKZGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-6-5-8-7-3-4(10)9(5)2/h3H,1-2H3,(H,6,8).
What are the key properties of 4-methyl-3-(methylamino)-1,2,4-triazin-5-one?
4-methyl-3-(methylamino)-1,2,4-triazin-5-one has a molecular weight of 140.15 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(methylamino)-1,2,4-triazin-5-one is sourced from PubChem (CID 70555979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).