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

C13H21N3 — CID 136559793

IUPAC3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(C3CCCC3)n2C1
InChIInChI=1S/C13H21N3/c1-13(2)8-7-11-14-15-12(16(11)9-13)10-5-3-4-6-10/h10H,3-9H2,1-2H3
InChIKeyWAPVBZDEWUJKMM-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds1

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

3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 136559793) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID136559793
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC1(C)CCc2nnc(C3CCCC3)n2C1
InChIInChI=1S/C13H21N3/c1-13(2)8-7-11-14-15-12(16(11)9-13)10-5-3-4-6-10/h10H,3-9H2,1-2H3
InChIKeyWAPVBZDEWUJKMM-UHFFFAOYSA-N
XLogP2.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 136559793) is 3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is CC1(C)CCc2nnc(C3CCCC3)n2C1.
What is the InChIKey of 3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is WAPVBZDEWUJKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2)8-7-11-14-15-12(16(11)9-13)10-5-3-4-6-10/h10H,3-9H2,1-2H3.
What are the key properties of 3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 219.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 136559793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).