N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine

C15H19N5S — CID 81153919

IUPACN-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCCNC(Cc1ncnn1CC)c1cnc2ccsc2c1
InChIInChI=1S/C15H19N5S/c1-3-16-13(8-15-18-10-19-20(15)4-2)11-7-14-12(17-9-11)5-6-21-14/h5-7,9-10,13,16H,3-4,8H2,1-2H3
InChIKeyMZPNOWLVCUZDBF-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.80
Rot. Bonds6

About N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine

N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 81153919) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID81153919
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC NameN-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESCCNC(Cc1ncnn1CC)c1cnc2ccsc2c1
InChIInChI=1S/C15H19N5S/c1-3-16-13(8-15-18-10-19-20(15)4-2)11-7-14-12(17-9-11)5-6-21-14/h5-7,9-10,13,16H,3-4,8H2,1-2H3
InChIKeyMZPNOWLVCUZDBF-UHFFFAOYSA-N
XLogP2.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine with MolForge

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144261
N-ethyl-1-thieno[3,2-b]pyridin-6-yl-2-thiophen-2-ylethanamine
CID 81144170
N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
N-ethyl-2-(1,3-thiazol-5-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 112643482
N-ethyl-2-propoxy-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81143217
N-ethyl-3-methylidene-1-thieno[3,2-b]pyridin-6-ylpentan-1-amine
CID 81144073
N-[2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 81143134
N-[2-(furan-3-yl)-1-thieno[3,2-b]pyridin-6-ylethyl]propan-1-amine
CID 83183474
N-[(3-bromothiophen-2-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81143315
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105002266
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 79780328
N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 114659039

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 81153919) is N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine is CCNC(Cc1ncnn1CC)c1cnc2ccsc2c1.
What is the InChIKey of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is MZPNOWLVCUZDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-3-16-13(8-15-18-10-19-20(15)4-2)11-7-14-12(17-9-11)5-6-21-14/h5-7,9-10,13,16H,3-4,8H2,1-2H3.
What are the key properties of N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 301.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethyl-1,2,4-triazol-3-yl)-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 81153919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).