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

C24H32N6O — CID 3051990

IUPAC5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one
SMILESCN(C)CCCn1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)nc1=O
InChIInChI=1S/C24H32N6O/c1-27(2)16-7-17-30-24(31)25-22(18-8-12-20(13-9-18)28(3)4)23(26-30)19-10-14-21(15-11-19)29(5)6/h8-15H,7,16-17H2,1-6H3
InChIKeyBGXUFYCVKFZTCC-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.06
Rot. Bonds8

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

5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one (PubChem CID 3051990) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one
PubChem CID3051990
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one
SMILESCN(C)CCCn1nc(-c2ccc(N(C)C)cc2)c(-c2ccc(N(C)C)cc2)nc1=O
InChIInChI=1S/C24H32N6O/c1-27(2)16-7-17-30-24(31)25-22(18-8-12-20(13-9-18)28(3)4)23(26-30)19-10-14-21(15-11-19)29(5)6/h8-15H,7,16-17H2,1-6H3
InChIKeyBGXUFYCVKFZTCC-UHFFFAOYSA-N
XLogP3.06
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one?
The IUPAC name of 5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one (CID 3051990) is 5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one.
What is the SMILES notation for 5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one?
The canonical SMILES for 5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one is CN(C)CCCn1nc(-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-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one?
The InChIKey is BGXUFYCVKFZTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-27(2)16-7-17-30-24(31)25-22(18-8-12-20(13-9-18)28(3)4)23(26-30)19-10-14-21(15-11-19)29(5)6/h8-15H,7,16-17H2,1-6H3.
What are the key properties of 5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one?
5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one has a molecular weight of 420.56 g/mol, XLogP of 3.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[4-(dimethylamino)phenyl]-2-[3-(dimethylamino)propyl]-1,2,4-triazin-3-one is sourced from PubChem (CID 3051990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).