3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one

C11H12N4O — CID 135453550

IUPAC3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NCc2ccccc2)[nH]c1=O
InChIInChI=1S/C11H12N4O/c1-8-10(16)13-11(15-14-8)12-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,15,16)
InChIKeyWNQCIXTVCHTXGV-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.09
Rot. Bonds3

About 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one

3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135453550) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135453550
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NCc2ccccc2)[nH]c1=O
InChIInChI=1S/C11H12N4O/c1-8-10(16)13-11(15-14-8)12-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,15,16)
InChIKeyWNQCIXTVCHTXGV-UHFFFAOYSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(benzylamino)-6-methyl-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

6-Methyl-3-phenyl-1,2,4-triazin-5-ol
CID 135472887
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
3-(4-benzyl-1-piperazinyl)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135399394
3-(allylamino)-6-[(p-fluorophenyl)methyl]-1,2,4-triazin-5(4H)-one
CID 135561173
4-Amino-6-methyl-3-phenethylamino-4H-[1,2,4]triazin-5-one
CID 753533
2-amino-6-(benzylamino)-1H-pyrimidin-4-one
CID 135408603
N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)propanamide
CID 44371901
6-methyl-3-[(2-phenylethyl)amino]-1,2,4-triazin-5(4H)-one
CID 135449193
3-Benzylamino-4H-[1,2,4]triazin-5-one
CID 135450654
3-(3,4-dihydro-2(1H)-isoquinolinyl)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135485469
6-Benzylamino-1H-[1,3,5]triazine-2,4-dione
CID 13667945
N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)acetamide
CID 44371780

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one (CID 135453550) is 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(NCc2ccccc2)[nH]c1=O.
What is the InChIKey of 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is WNQCIXTVCHTXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-10(16)13-11(15-14-8)12-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,12,13,15,16).
What are the key properties of 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one?
3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 216.24 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135453550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).