6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one

C14H20N4O — CID 23763596

IUPAC6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESCCCNc1nc(=O)n2c(C)c(C)c(C)c(C)c2n1
InChIInChI=1S/C14H20N4O/c1-6-7-15-13-16-12-10(4)8(2)9(3)11(5)18(12)14(19)17-13/h6-7H2,1-5H3,(H,15,17,19)
InChIKeyHWMXBCNCQISWCU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.15
Rot. Bonds3

About 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one

6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 23763596) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID23763596
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one
SMILESCCCNc1nc(=O)n2c(C)c(C)c(C)c(C)c2n1
InChIInChI=1S/C14H20N4O/c1-6-7-15-13-16-12-10(4)8(2)9(3)11(5)18(12)14(19)17-13/h6-7H2,1-5H3,(H,15,17,19)
InChIKeyHWMXBCNCQISWCU-UHFFFAOYSA-N
XLogP2.15
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one (CID 23763596) is 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one is CCCNc1nc(=O)n2c(C)c(C)c(C)c(C)c2n1.
What is the InChIKey of 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is HWMXBCNCQISWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-6-7-15-13-16-12-10(4)8(2)9(3)11(5)18(12)14(19)17-13/h6-7H2,1-5H3,(H,15,17,19).
What are the key properties of 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one?
6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 260.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetramethyl-2-(propylamino)pyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 23763596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).