2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C12H21N3 — CID 117157005

IUPAC2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCn2nc(CC(C)(C)C)nc2C1
InChIInChI=1S/C12H21N3/c1-9-5-6-15-11(7-9)13-10(14-15)8-12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyXDXBZBUXAATXEN-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.45
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117157005) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117157005
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCn2nc(CC(C)(C)C)nc2C1
InChIInChI=1S/C12H21N3/c1-9-5-6-15-11(7-9)13-10(14-15)8-12(2,3)4/h9H,5-8H2,1-4H3
InChIKeyXDXBZBUXAATXEN-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 117157005) is 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC1CCn2nc(CC(C)(C)C)nc2C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XDXBZBUXAATXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-5-6-15-11(7-9)13-10(14-15)8-12(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 207.32 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117157005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).