3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine

C11H14N4 — CID 4962747

IUPAC3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(C3CCNCC3)nnc2c1
InChIInChI=1S/C11H14N4/c1-2-8-15-10(3-1)13-14-11(15)9-4-6-12-7-5-9/h1-3,8-9,12H,4-7H2
InChIKeyAQOMRKUKXBCFMY-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.20
Rot. Bonds1

About 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine

3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 4962747) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID4962747
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccn2c(C3CCNCC3)nnc2c1
InChIInChI=1S/C11H14N4/c1-2-8-15-10(3-1)13-14-11(15)9-4-6-12-7-5-9/h1-3,8-9,12H,4-7H2
InChIKeyAQOMRKUKXBCFMY-UHFFFAOYSA-N
XLogP1.20
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 4962747) is 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine is c1ccn2c(C3CCNCC3)nnc2c1.
What is the InChIKey of 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AQOMRKUKXBCFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-8-15-10(3-1)13-14-11(15)9-4-6-12-7-5-9/h1-3,8-9,12H,4-7H2.
What are the key properties of 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine?
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 202.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 4962747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).