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

C8H16ClN5O — CID 2793307

IUPAC3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride
SMILESCN(C)CCNc1nncc(=O)n1C.Cl
InChIInChI=1S/C8H15N5O.ClH/c1-12(2)5-4-9-8-11-10-6-7(14)13(8)3;/h6H,4-5H2,1-3H3,(H,9,11);1H
InChIKeyNGYNBVJUASQJRM-UHFFFAOYSA-N
MW233.70 g/mol
LogP-0.43
Rot. Bonds4

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

3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride (PubChem CID 2793307) has the molecular formula C8H16ClN5O and a molecular weight of 233.70 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride
PubChem CID2793307
Molecular FormulaC8H16ClN5O
Molecular Weight233.70 g/mol
Exact Mass233.10
IUPAC Name3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride
SMILESCN(C)CCNc1nncc(=O)n1C.Cl
InChIInChI=1S/C8H15N5O.ClH/c1-12(2)5-4-9-8-11-10-6-7(14)13(8)3;/h6H,4-5H2,1-3H3,(H,9,11);1H
InChIKeyNGYNBVJUASQJRM-UHFFFAOYSA-N
XLogP-0.43
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-3-(methylamino)-1,2,4-triazin-5-one
CID 70555979
3-[3-(diethylamino)propylamino]-4H-1,2,4-triazin-5-one
CID 136779926
ethane;3-(methylamino)-4H-1,2,4-triazin-5-one
CID 142108141
3-[2-(Dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one
CID 734039
Dimethyl-[2-[(4-methyl-5-oxo-1,2,4-triazin-3-yl)amino]ethyl]azanium
CID 4517566
3-(dimethylamino)-4H-1,2,4-triazin-5-one
CID 135816279
3-[2-(dimethylamino)ethylamino]-4H-1,2,4-triazin-5-one
CID 136068739
3-(2-aminoethylamino)-4H-1,2,4-triazin-5-one
CID 136170893
3-[4-(diethylamino)butylamino]-4H-1,2,4-triazin-5-one
CID 136780078
3-[4-(2-aminoethyl)piperazin-1-yl]-4H-1,2,4-triazin-5-one
CID 136923001
3-(piperazin-1-yl)-1,2,4-triazin-5(4H)-one hydrochloride
CID 137091117

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride (CID 2793307) is 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride is CN(C)CCNc1nncc(=O)n1C.Cl.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride?
The InChIKey is NGYNBVJUASQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O.ClH/c1-12(2)5-4-9-8-11-10-6-7(14)13(8)3;/h6H,4-5H2,1-3H3,(H,9,11);1H.
What are the key properties of 3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride?
3-[2-(dimethylamino)ethylamino]-4-methyl-1,2,4-triazin-5-one;hydrochloride has a molecular weight of 233.70 g/mol, XLogP of -0.43, 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;hydrochloride is sourced from PubChem (CID 2793307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).