4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

C19H15N7O2S — CID 36539937

About 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 36539937) has the molecular formula C19H15N7O2S and a molecular weight of 405.44 g/mol. Its IUPAC name is 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

Molecular Properties

• Compound Name: 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• PubChem CID: 36539937
• Molecular Formula: C19H15N7O2S
• Molecular Weight: 405.44 g/mol
• Exact Mass: 405.10
• IUPAC Name: 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one
• SMILES: CCn1c(=O)c2ccccc2n2c(CSc3nnc(-c4ccncc4)o3)nnc12
• InChI: InChI=1S/C19H15N7O2S/c1-2-25-17(27)13-5-3-4-6-14(13)26-15(21-23-18(25)26)11-29-19-24-22-16(28-19)12-7-9-20-10-8-12/h3-10H,2,11H2,1H3
• InChIKey: YSRGOLQHSOKEEO-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 104.00 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.44
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The IUPAC name of 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 36539937) is 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one.

What is the SMILES notation for 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The canonical SMILES for 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CCn1c(=O)c2ccccc2n2c(CSc3nnc(-c4ccncc4)o3)nnc12.

What is the InChIKey of 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

The InChIKey is YSRGOLQHSOKEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7O2S/c1-2-25-17(27)13-5-3-4-6-14(13)26-15(21-23-18(25)26)11-29-19-24-22-16(28-19)12-7-9-20-10-8-12/h3-10H,2,11H2,1H3.

What are the key properties of 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one?

4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 405.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-1-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 36539937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).