2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide

C21H24N6O2 — CID 3069204

IUPAC2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCN(C)c1ccc(-c2nc(=O)n(CC(N)=O)nc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H24N6O2/c1-25(2)16-9-5-14(6-10-16)19-20(15-7-11-17(12-8-15)26(3)4)24-27(13-18(22)28)21(29)23-19/h5-12H,13H2,1-4H3,(H2,22,28)
InChIKeyYUMPMAXMLOBNSV-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.59
Rot. Bonds6

About 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide

2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide (PubChem CID 3069204) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide
PubChem CID3069204
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCN(C)c1ccc(-c2nc(=O)n(CC(N)=O)nc2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C21H24N6O2/c1-25(2)16-9-5-14(6-10-16)19-20(15-7-11-17(12-8-15)26(3)4)24-27(13-18(22)28)21(29)23-19/h5-12H,13H2,1-4H3,(H2,22,28)
InChIKeyYUMPMAXMLOBNSV-UHFFFAOYSA-N
XLogP1.59
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide?
The IUPAC name of 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide (CID 3069204) is 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide.
What is the SMILES notation for 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide?
The canonical SMILES for 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide is CN(C)c1ccc(-c2nc(=O)n(CC(N)=O)nc2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide?
The InChIKey is YUMPMAXMLOBNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-25(2)16-9-5-14(6-10-16)19-20(15-7-11-17(12-8-15)26(3)4)24-27(13-18(22)28)21(29)23-19/h5-12H,13H2,1-4H3,(H2,22,28).
What are the key properties of 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide?
2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-bis[4-(dimethylamino)phenyl]-3-oxo-1,2,4-triazin-2-yl]acetamide is sourced from PubChem (CID 3069204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).