N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C12H15N5O2S — CID 43290784

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCN(CCC(N)=S)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H15N5O2S/c1-15(7-5-9(13)20)11(18)8-17-12(19)16-6-3-2-4-10(16)14-17/h2-4,6H,5,7-8H2,1H3,(H2,13,20)
InChIKeyJFSNFAGWLSEYKO-UHFFFAOYSA-N
MW293.35 g/mol
LogP-0.37
Rot. Bonds5

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 43290784) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID43290784
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCN(CCC(N)=S)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C12H15N5O2S/c1-15(7-5-9(13)20)11(18)8-17-12(19)16-6-3-2-4-10(16)14-17/h2-4,6H,5,7-8H2,1H3,(H2,13,20)
InChIKeyJFSNFAGWLSEYKO-UHFFFAOYSA-N
XLogP-0.37
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 43290784) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CN(CCC(N)=S)C(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is JFSNFAGWLSEYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-15(7-5-9(13)20)11(18)8-17-12(19)16-6-3-2-4-10(16)14-17/h2-4,6H,5,7-8H2,1H3,(H2,13,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 293.35 g/mol, XLogP of -0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 43290784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).