7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C16H17N5 — CID 162630693

IUPAC7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1cncc(C2CCCN2Cc2ccn3ncnc3c2)c1
InChIInChI=1S/C16H17N5/c1-3-14(10-17-6-1)15-4-2-7-20(15)11-13-5-8-21-16(9-13)18-12-19-21/h1,3,5-6,8-10,12,15H,2,4,7,11H2
InChIKeyUYUWWVVJVPSLFX-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.46
Rot. Bonds3

About 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162630693) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID162630693
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESc1cncc(C2CCCN2Cc2ccn3ncnc3c2)c1
InChIInChI=1S/C16H17N5/c1-3-14(10-17-6-1)15-4-2-7-20(15)11-13-5-8-21-16(9-13)18-12-19-21/h1,3,5-6,8-10,12,15H,2,4,7,11H2
InChIKeyUYUWWVVJVPSLFX-UHFFFAOYSA-N
XLogP2.46
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 162630693) is 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is c1cncc(C2CCCN2Cc2ccn3ncnc3c2)c1.
What is the InChIKey of 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UYUWWVVJVPSLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-3-14(10-17-6-1)15-4-2-7-20(15)11-13-5-8-21-16(9-13)18-12-19-21/h1,3,5-6,8-10,12,15H,2,4,7,11H2.
What are the key properties of 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 279.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162630693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).