3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

C14H21N5 — CID 117139189

IUPAC3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC(C)N1CCCCC1c1nnc2ccc(N)cn12
InChIInChI=1S/C14H21N5/c1-10(2)18-8-4-3-5-12(18)14-17-16-13-7-6-11(15)9-19(13)14/h6-7,9-10,12H,3-5,8,15H2,1-2H3
InChIKeyIZOYTMXONRVPOC-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.25
Rot. Bonds2

About 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine

3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 117139189) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID117139189
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC(C)N1CCCCC1c1nnc2ccc(N)cn12
InChIInChI=1S/C14H21N5/c1-10(2)18-8-4-3-5-12(18)14-17-16-13-7-6-11(15)9-19(13)14/h6-7,9-10,12H,3-5,8,15H2,1-2H3
InChIKeyIZOYTMXONRVPOC-UHFFFAOYSA-N
XLogP2.25
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 117139189) is 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CC(C)N1CCCCC1c1nnc2ccc(N)cn12.
What is the InChIKey of 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is IZOYTMXONRVPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)18-8-4-3-5-12(18)14-17-16-13-7-6-11(15)9-19(13)14/h6-7,9-10,12H,3-5,8,15H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 259.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 117139189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).