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

C12H14N4O — CID 135449193

IUPAC6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NCCc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-9-11(17)14-12(16-15-9)13-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14,16,17)
InChIKeyDMKPLKFQNBYLAC-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.13
Rot. Bonds4

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

6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135449193) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135449193
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NCCc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-9-11(17)14-12(16-15-9)13-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14,16,17)
InChIKeyDMKPLKFQNBYLAC-UHFFFAOYSA-N
XLogP1.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-3-((2-hydroxyethyl)amino)-1,2,4-triazin-5(4H)-one
CID 135515371
6-Benzyl-3-[(2-methoxyethyl)amino]-1,2,4-triazin-5-ol
CID 135652589
3-(4-benzyl-1-piperazinyl)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135399394
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
4-Amino-6-methyl-3-phenethylamino-4H-[1,2,4]triazin-5-one
CID 753533
3-Benzylamino-4H-[1,2,4]triazin-5-one
CID 135450654
4-amino-3-(benzylamino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 753531
3-[(4-Fluorobenzyl)amino]-6-methyl-1,2,4-triazin-5-ol
CID 135445392
3-(benzylamino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135453550
3-(Benzylamino)-6-tert-butyl-1,2,4-triazin-5-ol
CID 135453663

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one (CID 135449193) is 6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one is Cc1nnc(NCCc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is DMKPLKFQNBYLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-9-11(17)14-12(16-15-9)13-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H2,13,14,16,17).
What are the key properties of 6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one?
6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-phenylethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135449193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).