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

C12H14N4OS — CID 110455806

IUPACN-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1nc2n(n1)C(c1cccs1)CCC2
InChIInChI=1S/C12H14N4OS/c1-8(17)13-12-14-11-6-2-4-9(16(11)15-12)10-5-3-7-18-10/h3,5,7,9H,2,4,6H2,1H3,(H,13,15,17)
InChIKeyJDTGQMMXSAAXKJ-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.22
Rot. Bonds2

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

N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide (PubChem CID 110455806) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
PubChem CID110455806
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide
SMILESCC(=O)Nc1nc2n(n1)C(c1cccs1)CCC2
InChIInChI=1S/C12H14N4OS/c1-8(17)13-12-14-11-6-2-4-9(16(11)15-12)10-5-3-7-18-10/h3,5,7,9H,2,4,6H2,1H3,(H,13,15,17)
InChIKeyJDTGQMMXSAAXKJ-UHFFFAOYSA-N
XLogP2.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide (CID 110455806) is N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide is CC(=O)Nc1nc2n(n1)C(c1cccs1)CCC2.
What is the InChIKey of N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
The InChIKey is JDTGQMMXSAAXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-8(17)13-12-14-11-6-2-4-9(16(11)15-12)10-5-3-7-18-10/h3,5,7,9H,2,4,6H2,1H3,(H,13,15,17).
What are the key properties of N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide?
N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide has a molecular weight of 262.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 110455806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).