2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C14H24N4 — CID 117154115

IUPAC2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCCCC1c1nc2n(n1)CCCC2
InChIInChI=1S/C14H24N4/c1-11(2)17-9-5-3-7-12(17)14-15-13-8-4-6-10-18(13)16-14/h11-12H,3-10H2,1-2H3
InChIKeyDNGXJCSLKNJXOL-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.55
Rot. Bonds2

About 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117154115) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117154115
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)N1CCCCC1c1nc2n(n1)CCCC2
InChIInChI=1S/C14H24N4/c1-11(2)17-9-5-3-7-12(17)14-15-13-8-4-6-10-18(13)16-14/h11-12H,3-10H2,1-2H3
InChIKeyDNGXJCSLKNJXOL-UHFFFAOYSA-N
XLogP2.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 117154115) is 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC(C)N1CCCCC1c1nc2n(n1)CCCC2.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DNGXJCSLKNJXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)17-9-5-3-7-12(17)14-15-13-8-4-6-10-18(13)16-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 248.37 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117154115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).