3-(dimethylamino)-4H-1,2,4-triazin-5-one

C5H8N4O — CID 135816279

IUPAC3-(dimethylamino)-4H-1,2,4-triazin-5-one
SMILESCN(C)c1nncc(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-9(2)5-7-4(10)3-6-8-5/h3H,1-2H3,(H,7,8,10)
InChIKeySCWRRKAMMDBHMS-UHFFFAOYSA-N
MW140.15 g/mol
LogP-0.77
Rot. Bonds1

About 3-(dimethylamino)-4H-1,2,4-triazin-5-one

3-(dimethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135816279) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 3-(dimethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(dimethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135816279
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name3-(dimethylamino)-4H-1,2,4-triazin-5-one
SMILESCN(C)c1nncc(=O)[nH]1
InChIInChI=1S/C5H8N4O/c1-9(2)5-7-4(10)3-6-8-5/h3H,1-2H3,(H,7,8,10)
InChIKeySCWRRKAMMDBHMS-UHFFFAOYSA-N
XLogP-0.77
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(dimethylamino)-4H-1,2,4-triazin-5-one (CID 135816279) is 3-(dimethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(dimethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(dimethylamino)-4H-1,2,4-triazin-5-one is CN(C)c1nncc(=O)[nH]1.
What is the InChIKey of 3-(dimethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is SCWRRKAMMDBHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-9(2)5-7-4(10)3-6-8-5/h3H,1-2H3,(H,7,8,10).
What are the key properties of 3-(dimethylamino)-4H-1,2,4-triazin-5-one?
3-(dimethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 140.15 g/mol, XLogP of -0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135816279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).