5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide

C11H14N4OS — CID 54966593

IUPAC5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide
SMILESNC(=S)CCCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H14N4OS/c12-9(17)5-1-4-8-15-11(16)14-7-3-2-6-10(14)13-15/h2-3,6-7H,1,4-5,8H2,(H2,12,17)
InChIKeyRHXDJWIPAPJZTF-UHFFFAOYSA-N
MW250.33 g/mol
LogP0.95
Rot. Bonds5

About 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide

5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide (PubChem CID 54966593) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide.

Molecular Properties

Compound Name5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide
PubChem CID54966593
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide
SMILESNC(=S)CCCCn1nc2ccccn2c1=O
InChIInChI=1S/C11H14N4OS/c12-9(17)5-1-4-8-15-11(16)14-7-3-2-6-10(14)13-15/h2-3,6-7H,1,4-5,8H2,(H2,12,17)
InChIKeyRHXDJWIPAPJZTF-UHFFFAOYSA-N
XLogP0.95
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide?
The IUPAC name of 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide (CID 54966593) is 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide.
What is the SMILES notation for 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide?
The canonical SMILES for 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide is NC(=S)CCCCn1nc2ccccn2c1=O.
What is the InChIKey of 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide?
The InChIKey is RHXDJWIPAPJZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c12-9(17)5-1-4-8-15-11(16)14-7-3-2-6-10(14)13-15/h2-3,6-7H,1,4-5,8H2,(H2,12,17).
What are the key properties of 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide?
5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide has a molecular weight of 250.33 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)pentanethioamide is sourced from PubChem (CID 54966593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).