4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one

C23H36N4O — CID 20563442

IUPAC4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one
SMILESCCCCc1cc(CCCC)c(-n2cnc(NCC)nc2=O)c(CCCC)c1
InChIInChI=1S/C23H36N4O/c1-5-9-12-18-15-19(13-10-6-2)21(20(16-18)14-11-7-3)27-17-25-22(24-8-4)26-23(27)28/h15-17H,5-14H2,1-4H3,(H,24,26,28)
InChIKeyBLEIDYMRHOOVSP-UHFFFAOYSA-N
MW384.57 g/mol
LogP5.09
Rot. Bonds12

About 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one

4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one (PubChem CID 20563442) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one
PubChem CID20563442
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC Name4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one
SMILESCCCCc1cc(CCCC)c(-n2cnc(NCC)nc2=O)c(CCCC)c1
InChIInChI=1S/C23H36N4O/c1-5-9-12-18-15-19(13-10-6-2)21(20(16-18)14-11-7-3)27-17-25-22(24-8-4)26-23(27)28/h15-17H,5-14H2,1-4H3,(H,24,26,28)
InChIKeyBLEIDYMRHOOVSP-UHFFFAOYSA-N
XLogP5.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one?
The IUPAC name of 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one (CID 20563442) is 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one.
What is the SMILES notation for 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one?
The canonical SMILES for 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one is CCCCc1cc(CCCC)c(-n2cnc(NCC)nc2=O)c(CCCC)c1.
What is the InChIKey of 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one?
The InChIKey is BLEIDYMRHOOVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-5-9-12-18-15-19(13-10-6-2)21(20(16-18)14-11-7-3)27-17-25-22(24-8-4)26-23(27)28/h15-17H,5-14H2,1-4H3,(H,24,26,28).
What are the key properties of 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one?
4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one has a molecular weight of 384.57 g/mol, XLogP of 5.09, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-(2,4,6-tributylphenyl)-1,3,5-triazin-2-one is sourced from PubChem (CID 20563442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).