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

C15H22N4S — CID 56780081

IUPAC2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCCc1cccs1)CC2
InChIInChI=1S/C15H22N4S/c1-11(2)15-17-14-6-5-12(10-19(14)18-15)16-8-7-13-4-3-9-20-13/h3-4,9,11-12,16H,5-8,10H2,1-2H3
InChIKeyAGWIKZIIQKJZFU-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.61
Rot. Bonds5

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

2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 56780081) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID56780081
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCCc1cccs1)CC2
InChIInChI=1S/C15H22N4S/c1-11(2)15-17-14-6-5-12(10-19(14)18-15)16-8-7-13-4-3-9-20-13/h3-4,9,11-12,16H,5-8,10H2,1-2H3
InChIKeyAGWIKZIIQKJZFU-UHFFFAOYSA-N
XLogP2.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of 2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 56780081) is 2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for 2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for 2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CC(C)c1nc2n(n1)CC(NCCc1cccs1)CC2.
What is the InChIKey of 2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is AGWIKZIIQKJZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-11(2)15-17-14-6-5-12(10-19(14)18-15)16-8-7-13-4-3-9-20-13/h3-4,9,11-12,16H,5-8,10H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 290.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 56780081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).