3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine

C12H11N5O2S — CID 75398510

IUPAC3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine
SMILESO=[N+]([O-])c1ccsc1NCCc1nnc2ccccn12
InChIInChI=1S/C12H11N5O2S/c18-17(19)9-5-8-20-12(9)13-6-4-11-15-14-10-3-1-2-7-16(10)11/h1-3,5,7-8,13H,4,6H2
InChIKeyBUORONNXFYRVGS-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.35
Rot. Bonds5

About 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine

3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine (PubChem CID 75398510) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine.

Molecular Properties

Compound Name3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine
PubChem CID75398510
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine
SMILESO=[N+]([O-])c1ccsc1NCCc1nnc2ccccn12
InChIInChI=1S/C12H11N5O2S/c18-17(19)9-5-8-20-12(9)13-6-4-11-15-14-10-3-1-2-7-16(10)11/h1-3,5,7-8,13H,4,6H2
InChIKeyBUORONNXFYRVGS-UHFFFAOYSA-N
XLogP2.35
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(thiophen-2-ylmethyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 28656331
3-nitro-N-(4-pyridin-4-ylbutyl)thiophen-2-amine
CID 166307000
3-nitro-4-pyrrolidin-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 27161868
6-methyl-2-(3-nitrophenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrimidin-4-amine
CID 47053364
3-methylsulfonyl-2-nitro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]aniline
CID 133393865
2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 21265826
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 18277477
4-methoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzenesulfonamide
CID 91947514
5-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrazine-2-carboxamide
CID 103803871
1-(4-methyl-1,3-thiazol-5-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
CID 43768206
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propane-1-sulfonamide
CID 64592335
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]quinolin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine?
The IUPAC name of 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine (CID 75398510) is 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine.
What is the SMILES notation for 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine?
The canonical SMILES for 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine is O=[N+]([O-])c1ccsc1NCCc1nnc2ccccn12.
What is the InChIKey of 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine?
The InChIKey is BUORONNXFYRVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c18-17(19)9-5-8-20-12(9)13-6-4-11-15-14-10-3-1-2-7-16(10)11/h1-3,5,7-8,13H,4,6H2.
What are the key properties of 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine?
3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine has a molecular weight of 289.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thiophen-2-amine is sourced from PubChem (CID 75398510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).