2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide

C14H22N8O — CID 128656615

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2n(n1)CCCC2)n1nnnc1C(C)(C)C
InChIInChI=1S/C14H22N8O/c1-9(22-12(14(2,3)4)17-19-20-22)11(23)16-13-15-10-7-5-6-8-21(10)18-13/h9H,5-8H2,1-4H3,(H,16,18,23)
InChIKeyLUXSQPVTMCVKFY-UHFFFAOYSA-N
MW318.39 g/mol
LogP1.10
Rot. Bonds3

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

2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide (PubChem CID 128656615) has the molecular formula C14H22N8O and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide
PubChem CID128656615
Molecular FormulaC14H22N8O
Molecular Weight318.39 g/mol
Exact Mass318.19
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide
SMILESCC(C(=O)Nc1nc2n(n1)CCCC2)n1nnnc1C(C)(C)C
InChIInChI=1S/C14H22N8O/c1-9(22-12(14(2,3)4)17-19-20-22)11(23)16-13-15-10-7-5-6-8-21(10)18-13/h9H,5-8H2,1-4H3,(H,16,18,23)
InChIKeyLUXSQPVTMCVKFY-UHFFFAOYSA-N
XLogP1.10
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide (CID 128656615) is 2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide is CC(C(=O)Nc1nc2n(n1)CCCC2)n1nnnc1C(C)(C)C.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide?
The InChIKey is LUXSQPVTMCVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O/c1-9(22-12(14(2,3)4)17-19-20-22)11(23)16-13-15-10-7-5-6-8-21(10)18-13/h9H,5-8H2,1-4H3,(H,16,18,23).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide?
2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide has a molecular weight of 318.39 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide is sourced from PubChem (CID 128656615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).