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

C11H13N5 — CID 16673803

IUPAC4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1cc(-c2n[nH]c(C3CCCN3)n2)ccn1
InChIInChI=1S/C11H13N5/c1-2-9(13-5-1)11-14-10(15-16-11)8-3-6-12-7-4-8/h3-4,6-7,9,13H,1-2,5H2,(H,14,15,16)
InChIKeyNNOPUXKJLMFDAQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.29
Rot. Bonds2

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

4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 16673803) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID16673803
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1cc(-c2n[nH]c(C3CCCN3)n2)ccn1
InChIInChI=1S/C11H13N5/c1-2-9(13-5-1)11-14-10(15-16-11)8-3-6-12-7-4-8/h3-4,6-7,9,13H,1-2,5H2,(H,14,15,16)
InChIKeyNNOPUXKJLMFDAQ-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 4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 16673803) is 4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine is c1cc(-c2n[nH]c(C3CCCN3)n2)ccn1.
What is the InChIKey of 4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is NNOPUXKJLMFDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-9(13-5-1)11-14-10(15-16-11)8-3-6-12-7-4-8/h3-4,6-7,9,13H,1-2,5H2,(H,14,15,16).
What are the key properties of 4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine?
4-(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 4-(5-pyrrolidin-2-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 16673803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).