2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

C17H16N6O2S — CID 71704597

IUPAC2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NCCCc1nnc2ccccn12
InChIInChI=1S/C17H16N6O2S/c24-15(10-22-11-19-12-6-9-26-16(12)17(22)25)18-7-3-5-14-21-20-13-4-1-2-8-23(13)14/h1-2,4,6,8-9,11H,3,5,7,10H2,(H,18,24)
InChIKeyWXLQGDSPGHCOJQ-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.25
Rot. Bonds6

About 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (PubChem CID 71704597) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
PubChem CID71704597
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
SMILESO=C(Cn1cnc2ccsc2c1=O)NCCCc1nnc2ccccn12
InChIInChI=1S/C17H16N6O2S/c24-15(10-22-11-19-12-6-9-26-16(12)17(22)25)18-7-3-5-14-21-20-13-4-1-2-8-23(13)14/h1-2,4,6,8-9,11H,3,5,7,10H2,(H,18,24)
InChIKeyWXLQGDSPGHCOJQ-UHFFFAOYSA-N
XLogP1.25
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The IUPAC name of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (CID 71704597) is 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The canonical SMILES for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is O=C(Cn1cnc2ccsc2c1=O)NCCCc1nnc2ccccn12.
What is the InChIKey of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
The InChIKey is WXLQGDSPGHCOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c24-15(10-22-11-19-12-6-9-26-16(12)17(22)25)18-7-3-5-14-21-20-13-4-1-2-8-23(13)14/h1-2,4,6,8-9,11H,3,5,7,10H2,(H,18,24).
What are the key properties of 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide has a molecular weight of 368.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is sourced from PubChem (CID 71704597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).