4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

C14H19N5 — CID 68755908

IUPAC4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCCc1ccnc(-c2n[nH]c(C3CCNCC3)n2)c1
InChIInChI=1S/C14H19N5/c1-2-10-3-8-16-12(9-10)14-17-13(18-19-14)11-4-6-15-7-5-11/h3,8-9,11,15H,2,4-7H2,1H3,(H,17,18,19)
InChIKeyXSZXBQUTDKTUAW-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.90
Rot. Bonds3

About 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 68755908) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID68755908
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESCCc1ccnc(-c2n[nH]c(C3CCNCC3)n2)c1
InChIInChI=1S/C14H19N5/c1-2-10-3-8-16-12(9-10)14-17-13(18-19-14)11-4-6-15-7-5-11/h3,8-9,11,15H,2,4-7H2,1H3,(H,17,18,19)
InChIKeyXSZXBQUTDKTUAW-UHFFFAOYSA-N
XLogP1.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 68755908) is 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is CCc1ccnc(-c2n[nH]c(C3CCNCC3)n2)c1.
What is the InChIKey of 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is XSZXBQUTDKTUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-10-3-8-16-12(9-10)14-17-13(18-19-14)11-4-6-15-7-5-11/h3,8-9,11,15H,2,4-7H2,1H3,(H,17,18,19).
What are the key properties of 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 257.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 68755908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).