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

C12H14N4O — CID 135454573

IUPAC6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NC(C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-8(10-6-4-3-5-7-10)13-12-14-11(17)9(2)15-16-12/h3-8H,1-2H3,(H2,13,14,16,17)
InChIKeyGNOPNPLJPABZCQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.65
Rot. Bonds3

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

6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one (PubChem CID 135454573) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one
PubChem CID135454573
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one
SMILESCc1nnc(NC(C)c2ccccc2)[nH]c1=O
InChIInChI=1S/C12H14N4O/c1-8(10-6-4-3-5-7-10)13-12-14-11(17)9(2)15-16-12/h3-8H,1-2H3,(H2,13,14,16,17)
InChIKeyGNOPNPLJPABZCQ-UHFFFAOYSA-N
XLogP1.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
4-Amino-6-methyl-3-phenethylamino-4H-[1,2,4]triazin-5-one
CID 753533
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
N-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)acetamide
CID 44371780
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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one (CID 135454573) is 6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one is Cc1nnc(NC(C)c2ccccc2)[nH]c1=O.
What is the InChIKey of 6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one?
The InChIKey is GNOPNPLJPABZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8(10-6-4-3-5-7-10)13-12-14-11(17)9(2)15-16-12/h3-8H,1-2H3,(H2,13,14,16,17).
What are the key properties of 6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one?
6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one has a molecular weight of 230.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135454573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).