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

C14H15ClN4S — CID 43439075

IUPAC1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
SMILESCC(NCCc1nnc2ccccn12)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN4S/c1-10(11-5-6-12(15)20-11)16-8-7-14-18-17-13-4-2-3-9-19(13)14/h2-6,9-10,16H,7-8H2,1H3
InChIKeyIXPMSAFPPNFWQI-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.34
Rot. Bonds5

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

1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine (PubChem CID 43439075) has the molecular formula C14H15ClN4S and a molecular weight of 306.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
PubChem CID43439075
Molecular FormulaC14H15ClN4S
Molecular Weight306.82 g/mol
Exact Mass306.07
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine
SMILESCC(NCCc1nnc2ccccn12)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN4S/c1-10(11-5-6-12(15)20-11)16-8-7-14-18-17-13-4-2-3-9-19(13)14/h2-6,9-10,16H,7-8H2,1H3
InChIKeyIXPMSAFPPNFWQI-UHFFFAOYSA-N
XLogP3.34
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.34
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-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine (CID 43439075) is 1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine is CC(NCCc1nnc2ccccn12)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
The InChIKey is IXPMSAFPPNFWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4S/c1-10(11-5-6-12(15)20-11)16-8-7-14-18-17-13-4-2-3-9-19(13)14/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine has a molecular weight of 306.82 g/mol, XLogP of 3.34, 5 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-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]ethanamine is sourced from PubChem (CID 43439075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).