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

C7H13N5O — CID 22694034

IUPAC5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one
SMILESCN(C)CCNc1cn[nH]c(=O)n1
InChIInChI=1S/C7H13N5O/c1-12(2)4-3-8-6-5-9-11-7(13)10-6/h5H,3-4H2,1-2H3,(H2,8,10,11,13)
InChIKeyJJWSNEVWBBDGCU-UHFFFAOYSA-N
MW183.22 g/mol
LogP-0.86
Rot. Bonds4

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

5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one (PubChem CID 22694034) has the molecular formula C7H13N5O and a molecular weight of 183.22 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one
PubChem CID22694034
Molecular FormulaC7H13N5O
Molecular Weight183.22 g/mol
Exact Mass183.11
IUPAC Name5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one
SMILESCN(C)CCNc1cn[nH]c(=O)n1
InChIInChI=1S/C7H13N5O/c1-12(2)4-3-8-6-5-9-11-7(13)10-6/h5H,3-4H2,1-2H3,(H2,8,10,11,13)
InChIKeyJJWSNEVWBBDGCU-UHFFFAOYSA-N
XLogP-0.86
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(dimethylamino)ethylamino]pyrazine-2-carboxamide
CID 133447093
5-[(2-fluorophenyl)methylamino]-2H-1,2,4-triazin-3-one
CID 20995217
2-[2-(dimethylamino)ethylamino]benzo[g]quinoline-5,10-dione
CID 67868318
N',N'-dimethyl-N-(6-methylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 54337128
2-[2-(dimethylamino)ethylamino]-4-methyl-1H-pyrimidin-6-one
CID 135462793
N-(6-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 61229371
5-(2-methylpropyl)-2H-1,2,4-triazin-3-one
CID 105429895
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
N-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]acetamide
CID 113039881
4-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80769589
N',N'-dimethyl-N-(5-methyl-2-pyridinyl)ethane-1,2-diamine;molecular hydrogen
CID 145001272
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one?
The IUPAC name of 5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one (CID 22694034) is 5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one?
The canonical SMILES for 5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one is CN(C)CCNc1cn[nH]c(=O)n1.
What is the InChIKey of 5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one?
The InChIKey is JJWSNEVWBBDGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O/c1-12(2)4-3-8-6-5-9-11-7(13)10-6/h5H,3-4H2,1-2H3,(H2,8,10,11,13).
What are the key properties of 5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one?
5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one has a molecular weight of 183.22 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazin-3-one is sourced from PubChem (CID 22694034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).