3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine

C11H17N3 — CID 170174929

IUPAC3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CC=Cc2nnc(C(C)(C)C)n21
InChIInChI=1S/C11H17N3/c1-8-6-5-7-9-12-13-10(14(8)9)11(2,3)4/h5,7-8H,6H2,1-4H3
InChIKeyNJRIQLMRFBVCNO-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.55
Rot. Bonds

About 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine

3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 170174929) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID170174929
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1CC=Cc2nnc(C(C)(C)C)n21
InChIInChI=1S/C11H17N3/c1-8-6-5-7-9-12-13-10(14(8)9)11(2,3)4/h5,7-8H,6H2,1-4H3
InChIKeyNJRIQLMRFBVCNO-UHFFFAOYSA-N
XLogP2.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine (CID 170174929) is 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine is CC1CC=Cc2nnc(C(C)(C)C)n21.
What is the InChIKey of 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is NJRIQLMRFBVCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-6-5-7-9-12-13-10(14(8)9)11(2,3)4/h5,7-8H,6H2,1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine?
3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 191.28 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 170174929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).