4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C18H24N6O — CID 119919143

IUPAC4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(CN3CCCC(NC)C3)nnc12
InChIInChI=1S/C18H24N6O/c1-3-23-17(25)14-8-4-5-9-15(14)24-16(20-21-18(23)24)12-22-10-6-7-13(11-22)19-2/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3
InChIKeyQYKAPOSZGBAWTM-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.25
Rot. Bonds4

About 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 119919143) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

Compound Name4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
PubChem CID119919143
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCCn1c(=O)c2ccccc2n2c(CN3CCCC(NC)C3)nnc12
InChIInChI=1S/C18H24N6O/c1-3-23-17(25)14-8-4-5-9-15(14)24-16(20-21-18(23)24)12-22-10-6-7-13(11-22)19-2/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3
InChIKeyQYKAPOSZGBAWTM-UHFFFAOYSA-N
XLogP1.25
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 119919143) is 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCn1c(=O)c2ccccc2n2c(CN3CCCC(NC)C3)nnc12.
What is the InChIKey of 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is QYKAPOSZGBAWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-3-23-17(25)14-8-4-5-9-15(14)24-16(20-21-18(23)24)12-22-10-6-7-13(11-22)19-2/h4-5,8-9,13,19H,3,6-7,10-12H2,1-2H3.
What are the key properties of 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 340.43 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[3-(methylamino)piperidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 119919143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).