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

C24H31N5O — CID 3051987

IUPAC5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one
SMILESCCN(CC)c1ccc(-c2nc(=O)n(C)nc2-c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C24H31N5O/c1-6-28(7-2)20-14-10-18(11-15-20)22-23(26-27(5)24(30)25-22)19-12-16-21(17-13-19)29(8-3)9-4/h10-17H,6-9H2,1-5H3
InChIKeyRIMUBBCWUREKBO-UHFFFAOYSA-N
MW405.55 g/mol
LogP4.20
Rot. Bonds8

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

5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one (PubChem CID 3051987) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one.

Molecular Properties

Compound Name5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one
PubChem CID3051987
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one
SMILESCCN(CC)c1ccc(-c2nc(=O)n(C)nc2-c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C24H31N5O/c1-6-28(7-2)20-14-10-18(11-15-20)22-23(26-27(5)24(30)25-22)19-12-16-21(17-13-19)29(8-3)9-4/h10-17H,6-9H2,1-5H3
InChIKeyRIMUBBCWUREKBO-UHFFFAOYSA-N
XLogP4.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one?
The IUPAC name of 5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one (CID 3051987) is 5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one.
What is the SMILES notation for 5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one?
The canonical SMILES for 5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one is CCN(CC)c1ccc(-c2nc(=O)n(C)nc2-c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one?
The InChIKey is RIMUBBCWUREKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-6-28(7-2)20-14-10-18(11-15-20)22-23(26-27(5)24(30)25-22)19-12-16-21(17-13-19)29(8-3)9-4/h10-17H,6-9H2,1-5H3.
What are the key properties of 5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one?
5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one has a molecular weight of 405.55 g/mol, XLogP of 4.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis[4-(diethylamino)phenyl]-2-methyl-1,2,4-triazin-3-one is sourced from PubChem (CID 3051987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).