1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one

C19H21N5O3 — CID 54436662

IUPAC1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCOc1ccc(-n2cnc(NNc3ccccc3)nc2=O)cc1OCC
InChIInChI=1S/C19H21N5O3/c1-3-26-16-11-10-15(12-17(16)27-4-2)24-13-20-18(21-19(24)25)23-22-14-8-6-5-7-9-14/h5-13,22H,3-4H2,1-2H3,(H,21,23,25)
InChIKeyWLFBANZNCDOPSY-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.86
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one

1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one (PubChem CID 54436662) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one
PubChem CID54436662
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one
SMILESCCOc1ccc(-n2cnc(NNc3ccccc3)nc2=O)cc1OCC
InChIInChI=1S/C19H21N5O3/c1-3-26-16-11-10-15(12-17(16)27-4-2)24-13-20-18(21-19(24)25)23-22-14-8-6-5-7-9-14/h5-13,22H,3-4H2,1-2H3,(H,21,23,25)
InChIKeyWLFBANZNCDOPSY-UHFFFAOYSA-N
XLogP2.86
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-diethoxyphenyl)-4-[2-(trifluoromethyl)hydrazinyl]-1,3,5-triazin-2-one
CID 54441165
1-(3,4-diethoxyphenyl)-4-(2-prop-2-enylhydrazinyl)-1,3,5-triazin-2-one
CID 54250487
4-[amino(benzyl)amino]-1-(3,4-diethoxyphenyl)-1,3,5-triazin-2-one
CID 70389693
1-(3-methoxy-2-pyridinyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one
CID 57137761
4-(N-aminoanilino)-1-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-one
CID 70390389
(4E)-1-(3,4-diethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-5-phenylpyrrolidine-2,3-dione
CID 108677807
4-bromo-1-(3,4-diethoxyphenyl)pyrrole-2-carboxylic acid
CID 114603565
1-(3,4-diethoxyphenyl)-2,5-dimethylpyrrole
CID 43394734
4-(3,4-diethoxyphenyl)-2-phenylphthalazin-1-one
CID 4882337
N-(3,4-diethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2460546
1-(3,4-diethoxyphenyl)imidazolidine-2,4,5-trione
CID 2117405
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
CID 141426633

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one?
The IUPAC name of 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one (CID 54436662) is 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one is CCOc1ccc(-n2cnc(NNc3ccccc3)nc2=O)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one?
The InChIKey is WLFBANZNCDOPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-3-26-16-11-10-15(12-17(16)27-4-2)24-13-20-18(21-19(24)25)23-22-14-8-6-5-7-9-14/h5-13,22H,3-4H2,1-2H3,(H,21,23,25).
What are the key properties of 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one?
1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one has a molecular weight of 367.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-4-(2-phenylhydrazinyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 54436662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).