6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one

C12H14N4O2 — CID 135515371

IUPAC6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCCO)nnc1Cc1ccccc1
InChIInChI=1S/C12H14N4O2/c17-7-6-13-12-14-11(18)10(15-16-12)8-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H2,13,14,16,18)
InChIKeyYUUQROBENAJVFK-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.16
Rot. Bonds5

About 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one

6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135515371) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135515371
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one
SMILESO=c1[nH]c(NCCO)nnc1Cc1ccccc1
InChIInChI=1S/C12H14N4O2/c17-7-6-13-12-14-11(18)10(15-16-12)8-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H2,13,14,16,18)
InChIKeyYUUQROBENAJVFK-UHFFFAOYSA-N
XLogP0.16
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one 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

3-(3-hydroxypropylamino)-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561187
6-Benzyl-3-[(2-methoxyethyl)amino]-1,2,4-triazin-5-ol
CID 135652589
6-benzyl-3-(cyclohexylamino)-1,2,4-triazin-5(4H)-one
CID 135510453
3-(allylamino)-6-[(p-fluorophenyl)methyl]-1,2,4-triazin-5(4H)-one
CID 135561173
3-(allylamino)-6-(4-isopropylbenzyl)-1,2,4-triazin-5(4H)-one
CID 135561172
6-(4-Chlorobenzyl)-3-[(2-hydroxyethyl)amino]-1,2,4-triazin-5-ol
CID 135651901
6-methyl-3-[(2-phenylethyl)amino]-1,2,4-triazin-5(4H)-one
CID 135449193
6-(4-Chlorobenzyl)-3-[(2-methoxyethyl)amino]-1,2,4-triazin-5-ol
CID 135651869
3-(Hydroxymethyl)-6-phenyl-4,5-dihydro-1,2,4-triazin-5-one
CID 136230266
3-(cyclohexylamino)-6-(4-methylbenzyl)-1,2,4-triazin-5(4H)-one
CID 135760284
3-(cyclopentylamino)-6-(4-fluorobenzyl)-1,2,4-triazin-5(4H)-one
CID 135561124
3-(cyclohexylamino)-6-[(4-fluorophenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135561007

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one (CID 135515371) is 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one is O=c1[nH]c(NCCO)nnc1Cc1ccccc1.
What is the InChIKey of 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is YUUQROBENAJVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-7-6-13-12-14-11(18)10(15-16-12)8-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H2,13,14,16,18).
What are the key properties of 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one?
6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 246.27 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-(2-hydroxyethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135515371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).