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

C12H15N5O — CID 753533

IUPAC4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one
SMILESCc1nnc(NCCc2ccccc2)n(N)c1=O
InChIInChI=1S/C12H15N5O/c1-9-11(18)17(13)12(16-15-9)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3,(H,14,16)
InChIKeyJUKCAZNRXXXWQP-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.32
Rot. Bonds4

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

4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one (PubChem CID 753533) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one
PubChem CID753533
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one
SMILESCc1nnc(NCCc2ccccc2)n(N)c1=O
InChIInChI=1S/C12H15N5O/c1-9-11(18)17(13)12(16-15-9)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3,(H,14,16)
InChIKeyJUKCAZNRXXXWQP-UHFFFAOYSA-N
XLogP0.32
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-6-methyl-3-(2-phenylethylamino)-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-[(2-phenylethyl)amino]-1,2,4-triazin-5(4H)-one
CID 135449193
4-amino-3-(benzylamino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 753531
3,4-Diamino-6-(2-phenylethyl)-4,5-dihydro-1,2,4-triazin-5-one
CID 4962893
3-[(4-Fluorobenzyl)amino]-6-methyl-1,2,4-triazin-5-ol
CID 135445392
6-methyl-3-[(2E)-2-(3-phenylpropylidene)hydrazinyl]-1,2,4-triazin-5(4H)-one
CID 135412005
3-(benzylamino)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135453550
3-(1-phenylethylamino)-4H-1,2,4-triazin-5-one
CID 135476903
4-Amino-6-benzyl-3-hydrazinyl-1,2,4-triazin-5(4h)-one
CID 121215960
3-[2-(4-fluorophenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 136363291
6-(2-Fluorophenyl)-3,4-bis(methylamino)-1,2,4-triazin-5-one
CID 21277252
3,4-bis(methylamino)-6-(3-fluorophenyl)-4H-1,2,4-triazin-5-one
CID 21277255
6-Methyl-3-[(1-phenylethyl)amino]-1,2,4-triazin-5-ol
CID 135454573

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one (CID 753533) is 4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one is Cc1nnc(NCCc2ccccc2)n(N)c1=O.
What is the InChIKey of 4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one?
The InChIKey is JUKCAZNRXXXWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-11(18)17(13)12(16-15-9)14-8-7-10-5-3-2-4-6-10/h2-6H,7-8,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one?
4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one has a molecular weight of 245.29 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-3-(2-phenylethylamino)-1,2,4-triazin-5-one is sourced from PubChem (CID 753533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).