2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C16H24N4S — CID 75428655

IUPAC2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCc1nc2n(n1)CCCC2NC(C)c1ccc(CC)s1
InChIInChI=1S/C16H24N4S/c1-4-12-8-9-14(21-12)11(3)17-13-7-6-10-20-16(13)18-15(5-2)19-20/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyNNYNWSWCPRHXCT-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.65
Rot. Bonds5

About 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 75428655) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID75428655
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCCc1nc2n(n1)CCCC2NC(C)c1ccc(CC)s1
InChIInChI=1S/C16H24N4S/c1-4-12-8-9-14(21-12)11(3)17-13-7-6-10-20-16(13)18-15(5-2)19-20/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyNNYNWSWCPRHXCT-UHFFFAOYSA-N
XLogP3.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 75428655) is 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CCc1nc2n(n1)CCCC2NC(C)c1ccc(CC)s1.
What is the InChIKey of 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is NNYNWSWCPRHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c1-4-12-8-9-14(21-12)11(3)17-13-7-6-10-20-16(13)18-15(5-2)19-20/h8-9,11,13,17H,4-7,10H2,1-3H3.
What are the key properties of 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 304.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(5-ethylthiophen-2-yl)ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 75428655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).