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

C11H13N5 — CID 82463462

IUPAC3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1cncc(-c2n[nH]c(C3CCCN3)n2)c1
InChIInChI=1S/C11H13N5/c1-3-8(7-12-5-1)10-14-11(16-15-10)9-4-2-6-13-9/h1,3,5,7,9,13H,2,4,6H2,(H,14,15,16)
InChIKeyHBACZVIIYAOEKF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.29
Rot. Bonds2

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

3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 82463462) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID82463462
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1cncc(-c2n[nH]c(C3CCCN3)n2)c1
InChIInChI=1S/C11H13N5/c1-3-8(7-12-5-1)10-14-11(16-15-10)9-4-2-6-13-9/h1,3,5,7,9,13H,2,4,6H2,(H,14,15,16)
InChIKeyHBACZVIIYAOEKF-UHFFFAOYSA-N
XLogP1.29
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 82463462) is 3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine is c1cncc(-c2n[nH]c(C3CCCN3)n2)c1.
What is the InChIKey of 3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is HBACZVIIYAOEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-3-8(7-12-5-1)10-14-11(16-15-10)9-4-2-6-13-9/h1,3,5,7,9,13H,2,4,6H2,(H,14,15,16).
What are the key properties of 3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 215.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 82463462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).