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

C5H8N4O — CID 135763969

IUPAC6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
SMILESCNc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-3-4(10)7-5(6-2)9-8-3/h1-2H3,(H2,6,7,9,10)
InChIKeyHAJJPXKPVXAQBR-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.48
Rot. Bonds1

About 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one

6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135763969) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
PubChem CID135763969
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one
SMILESCNc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-3-4(10)7-5(6-2)9-8-3/h1-2H3,(H2,6,7,9,10)
InChIKeyHAJJPXKPVXAQBR-UHFFFAOYSA-N
XLogP-0.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one (CID 135763969) is 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one is CNc1nnc(C)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is HAJJPXKPVXAQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-3-4(10)7-5(6-2)9-8-3/h1-2H3,(H2,6,7,9,10).
What are the key properties of 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one?
6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 140.15 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135763969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).