5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one

C22H25N5O — CID 3051989

IUPAC5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one
SMILESC=CCn1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)nc1=O
InChIInChI=1S/C22H25N5O/c1-6-15-27-22(28)23-20(16-7-11-18(12-8-16)25(2)3)21(24-27)17-9-13-19(14-10-17)26(4)5/h6-14H,1,15H2,2-5H3
InChIKeyTXPPOFYTGJVYBB-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.29
Rot. Bonds6

About 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one

5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one (PubChem CID 3051989) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one
PubChem CID3051989
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one
SMILESC=CCn1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)nc1=O
InChIInChI=1S/C22H25N5O/c1-6-15-27-22(28)23-20(16-7-11-18(12-8-16)25(2)3)21(24-27)17-9-13-19(14-10-17)26(4)5/h6-14H,1,15H2,2-5H3
InChIKeyTXPPOFYTGJVYBB-UHFFFAOYSA-N
XLogP3.29
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Metrazifone
CID 68877
(2E)-2-[4-(diethylamino)benzylidene]-N-phenylhydrazinecarboxamide
CID 5406562
3,5-bis(4-fluorophenyl)-N-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carboxamide
CID 11841121
1-(5-(4-(dimethylamino)phenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 2885709
1,2,4-Triazin-3(2H)-one, 5-(2-chlorophenyl)-6-(4-(dimethylamino)phenyl)-2-methyl-
CID 3051985
1,2,4-Triazin-3(2H)-one, 5-(4-chlorophenyl)-6-(4-(dimethylamino)phenyl)-2-methyl-
CID 3051986
as-Triazin-3(2H)-one, 5,6-bis(p-(diethylamino)phenyl)-2-methyl-
CID 3051987
as-Triazin-3(2H)-one, 5,6-bis(p-(dimethylamino)phenyl)-2-(3-(dimethylamino)propyl)-
CID 3051990
1,2,4-Triazin-3(2H)-one, 5,6-bis(4-(dimethylamino)phenyl)-2-(2-(diethylamino)ethyl)-
CID 3051991
1,2,4-Triazin-3(2H)-one, 5,6-bis(4-(dimethylamino)phenyl)-2-(3-methyl-2-butenyl)-
CID 3051992
1,2,4-Triazine-3(2H)-thione, 5,6-bis(4-(dimethylamino)phenyl)-2-methyl-
CID 3051993
3-methyl-2,6-diphenyl-3H-[1,2,4]triazolo[1,2-a]triazole-5,7-dione
CID 318509

Frequently Asked Questions

What is the IUPAC name of 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one?
The IUPAC name of 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one (CID 3051989) is 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one.
What is the SMILES notation for 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one?
The canonical SMILES for 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one is C=CCn1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)nc1=O.
What is the InChIKey of 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one?
The InChIKey is TXPPOFYTGJVYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-6-15-27-22(28)23-20(16-7-11-18(12-8-16)25(2)3)21(24-27)17-9-13-19(14-10-17)26(4)5/h6-14H,1,15H2,2-5H3.
What are the key properties of 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one?
5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one has a molecular weight of 375.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[4-(dimethylamino)phenyl]-2-prop-2-enyl-1,2,4-triazin-3-one is sourced from PubChem (CID 3051989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).