3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one

C8H15N5O — CID 734039

IUPAC3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one
SMILESCN(C)CCNc1nncc(=O)n1C
InChIInChI=1S/C8H15N5O/c1-12(2)5-4-9-8-11-10-6-7(14)13(8)3/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeySNYJWHXZBMWYEK-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.85
Rot. Bonds4

About 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one

3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one (PubChem CID 734039) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one
PubChem CID734039
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one
SMILESCN(C)CCNc1nncc(=O)n1C
InChIInChI=1S/C8H15N5O/c1-12(2)5-4-9-8-11-10-6-7(14)13(8)3/h6H,4-5H2,1-3H3,(H,9,11)
InChIKeySNYJWHXZBMWYEK-UHFFFAOYSA-N
XLogP-0.85
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one (CID 734039) is 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one is CN(C)CCNc1nncc(=O)n1C.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one?
The InChIKey is SNYJWHXZBMWYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-12(2)5-4-9-8-11-10-6-7(14)13(8)3/h6H,4-5H2,1-3H3,(H,9,11).
What are the key properties of 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one?
3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one has a molecular weight of 197.24 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one is sourced from PubChem (CID 734039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).