3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one

C19H20N4O3 — CID 135511625

IUPAC3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(CCNc2nnc(-c3ccccc3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H20N4O3/c1-25-15-9-8-13(12-16(15)26-2)10-11-20-19-21-18(24)17(22-23-19)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,20,21,23,24)
InChIKeyXFHWNUZBSDJDJS-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.50
Rot. Bonds7

About 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one

3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one (PubChem CID 135511625) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
PubChem CID135511625
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(CCNc2nnc(-c3ccccc3)c(=O)[nH]2)cc1OC
InChIInChI=1S/C19H20N4O3/c1-25-15-9-8-13(12-16(15)26-2)10-11-20-19-21-18(24)17(22-23-19)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,20,21,23,24)
InChIKeyXFHWNUZBSDJDJS-UHFFFAOYSA-N
XLogP2.50
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-methoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135612014
3-[2-(methylamino)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136920355
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(thiophen-2-ylmethyl)-4H-1,2,4-triazin-5-one
CID 136780214
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-hydroxy-1H-pyrimidin-6-one
CID 2727844
3-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-phenyl-1,2,4-triazin-2-ium-5-one
CID 1420402
3-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-6-phenyl-4H-1,2,4-triazin-5-one
CID 136789147
2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612119
3-[3-(dimethylamino)propylamino]-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136779950
4-[2-(3,4-dimethoxyphenyl)ethylamino]-5-phenyl-2-propan-2-yl-1,2-thiazol-3-one
CID 68682913
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955931
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazol-5-amine
CID 18825159
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-1H-benzimidazol-2-amine
CID 133410006

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one (CID 135511625) is 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one is COc1ccc(CCNc2nnc(-c3ccccc3)c(=O)[nH]2)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one?
The InChIKey is XFHWNUZBSDJDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-15-9-8-13(12-16(15)26-2)10-11-20-19-21-18(24)17(22-23-19)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H2,20,21,23,24).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one?
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one has a molecular weight of 352.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135511625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).