5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine

C11H11N5 — CID 59832256

IUPAC5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ncn(CCc2cnc3[nH]ccc3c2)n1
InChIInChI=1S/C11H11N5/c1-3-13-11-10(1)5-9(6-14-11)2-4-16-8-12-7-15-16/h1,3,5-8H,2,4H2,(H,13,14)
InChIKeyWFGWZBHREUQVHV-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.40
Rot. Bonds3

About 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine

5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59832256) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID59832256
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine
SMILESc1ncn(CCc2cnc3[nH]ccc3c2)n1
InChIInChI=1S/C11H11N5/c1-3-13-11-10(1)5-9(6-14-11)2-4-16-8-12-7-15-16/h1,3,5-8H,2,4H2,(H,13,14)
InChIKeyWFGWZBHREUQVHV-UHFFFAOYSA-N
XLogP1.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine (CID 59832256) is 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine is c1ncn(CCc2cnc3[nH]ccc3c2)n1.
What is the InChIKey of 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WFGWZBHREUQVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c1-3-13-11-10(1)5-9(6-14-11)2-4-16-8-12-7-15-16/h1,3,5-8H,2,4H2,(H,13,14).
What are the key properties of 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine?
5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 213.24 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,2,4-triazol-1-yl)ethyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59832256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).