5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C15H18N4S — CID 80528351

IUPAC5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccc2nc(NCC(C)(C)c3cccs3)nn12
InChIInChI=1S/C15H18N4S/c1-11-6-4-8-13-17-14(18-19(11)13)16-10-15(2,3)12-7-5-9-20-12/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyAPCPSKCARIJDOA-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.49
Rot. Bonds4

About 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 80528351) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID80528351
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cccc2nc(NCC(C)(C)c3cccs3)nn12
InChIInChI=1S/C15H18N4S/c1-11-6-4-8-13-17-14(18-19(11)13)16-10-15(2,3)12-7-5-9-20-12/h4-9H,10H2,1-3H3,(H,16,18)
InChIKeyAPCPSKCARIJDOA-UHFFFAOYSA-N
XLogP3.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 80528351) is 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cccc2nc(NCC(C)(C)c3cccs3)nn12.
What is the InChIKey of 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is APCPSKCARIJDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-11-6-4-8-13-17-14(18-19(11)13)16-10-15(2,3)12-7-5-9-20-12/h4-9H,10H2,1-3H3,(H,16,18).
What are the key properties of 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 286.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 80528351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).