3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

C9H15N3 — CID 59299813

IUPAC3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCCC2(C)C
InChIInChI=1S/C9H15N3/c1-7-10-11-8-9(2,3)5-4-6-12(7)8/h4-6H2,1-3H3
InChIKeyLIYAXTSNGQTRKQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.66
Rot. Bonds

About 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine

3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 59299813) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID59299813
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1nnc2n1CCCC2(C)C
InChIInChI=1S/C9H15N3/c1-7-10-11-8-9(2,3)5-4-6-12(7)8/h4-6H2,1-3H3
InChIKeyLIYAXTSNGQTRKQ-UHFFFAOYSA-N
XLogP1.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 59299813) is 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is Cc1nnc2n1CCCC2(C)C.
What is the InChIKey of 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LIYAXTSNGQTRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-10-11-8-9(2,3)5-4-6-12(7)8/h4-6H2,1-3H3.
What are the key properties of 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 165.24 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8,8-trimethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 59299813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).