1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

C13H13ClN4S — CID 43439135

IUPAC1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1nnc2ccccn12)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN4S/c1-9(10-5-6-11(14)19-10)15-8-13-17-16-12-4-2-3-7-18(12)13/h2-7,9,15H,8H2,1H3
InChIKeyFXFVDLSQUGRDPJ-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.30
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine

1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (PubChem CID 43439135) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
PubChem CID43439135
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine
SMILESCC(NCc1nnc2ccccn12)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN4S/c1-9(10-5-6-11(14)19-10)15-8-13-17-16-12-4-2-3-7-18(12)13/h2-7,9,15H,8H2,1H3
InChIKeyFXFVDLSQUGRDPJ-UHFFFAOYSA-N
XLogP3.30
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine (CID 43439135) is 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is CC(NCc1nnc2ccccn12)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
The InChIKey is FXFVDLSQUGRDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-9(10-5-6-11(14)19-10)15-8-13-17-16-12-4-2-3-7-18(12)13/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine?
1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine has a molecular weight of 292.80 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 43439135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).