N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H10ClFN4S — CID 106048729

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc2nc(NCCc3ccc(Cl)s3)nn2c1
InChIInChI=1S/C12H10ClFN4S/c13-10-3-2-9(19-10)5-6-15-12-16-11-4-1-8(14)7-18(11)17-12/h1-4,7H,5-6H2,(H,15,17)
InChIKeyLHTNZYUCRUWWKP-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.24
Rot. Bonds4

About N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 106048729) has the molecular formula C12H10ClFN4S and a molecular weight of 296.76 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID106048729
Molecular FormulaC12H10ClFN4S
Molecular Weight296.76 g/mol
Exact Mass296.03
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESFc1ccc2nc(NCCc3ccc(Cl)s3)nn2c1
InChIInChI=1S/C12H10ClFN4S/c13-10-3-2-9(19-10)5-6-15-12-16-11-4-1-8(14)7-18(11)17-12/h1-4,7H,5-6H2,(H,15,17)
InChIKeyLHTNZYUCRUWWKP-UHFFFAOYSA-N
XLogP3.24
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 106048729) is N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Fc1ccc2nc(NCCc3ccc(Cl)s3)nn2c1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is LHTNZYUCRUWWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN4S/c13-10-3-2-9(19-10)5-6-15-12-16-11-4-1-8(14)7-18(11)17-12/h1-4,7H,5-6H2,(H,15,17).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 296.76 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 106048729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).