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

C25H34N6O — CID 3051991

IUPAC2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one
SMILESCCN(CC)CCn1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)nc1=O
InChIInChI=1S/C25H34N6O/c1-7-30(8-2)17-18-31-25(32)26-23(19-9-13-21(14-10-19)28(3)4)24(27-31)20-11-15-22(16-12-20)29(5)6/h9-16H,7-8,17-18H2,1-6H3
InChIKeyDWJREWROEBJUHS-UHFFFAOYSA-N
MW434.59 g/mol
LogP3.45
Rot. Bonds9

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

2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one (PubChem CID 3051991) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one
PubChem CID3051991
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one
SMILESCCN(CC)CCn1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)nc1=O
InChIInChI=1S/C25H34N6O/c1-7-30(8-2)17-18-31-25(32)26-23(19-9-13-21(14-10-19)28(3)4)24(27-31)20-11-15-22(16-12-20)29(5)6/h9-16H,7-8,17-18H2,1-6H3
InChIKeyDWJREWROEBJUHS-UHFFFAOYSA-N
XLogP3.45
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one (CID 3051991) is 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one is CCN(CC)CCn1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)nc1=O.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one?
The InChIKey is DWJREWROEBJUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O/c1-7-30(8-2)17-18-31-25(32)26-23(19-9-13-21(14-10-19)28(3)4)24(27-31)20-11-15-22(16-12-20)29(5)6/h9-16H,7-8,17-18H2,1-6H3.
What are the key properties of 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one?
2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one has a molecular weight of 434.59 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one is sourced from PubChem (CID 3051991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).