4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine

C13H16N4 — CID 61338891

IUPAC4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
SMILESc1cc(Cc2nc(C3CCCC3)n[nH]2)ccn1
InChIInChI=1S/C13H16N4/c1-2-4-11(3-1)13-15-12(16-17-13)9-10-5-7-14-8-6-10/h5-8,11H,1-4,9H2,(H,15,16,17)
InChIKeyDSOGDOPDZGHTSI-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.45
Rot. Bonds3

About 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine

4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine (PubChem CID 61338891) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
PubChem CID61338891
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
SMILESc1cc(Cc2nc(C3CCCC3)n[nH]2)ccn1
InChIInChI=1S/C13H16N4/c1-2-4-11(3-1)13-15-12(16-17-13)9-10-5-7-14-8-6-10/h5-8,11H,1-4,9H2,(H,15,16,17)
InChIKeyDSOGDOPDZGHTSI-UHFFFAOYSA-N
XLogP2.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine?
The IUPAC name of 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine (CID 61338891) is 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine.
What is the SMILES notation for 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine?
The canonical SMILES for 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine is c1cc(Cc2nc(C3CCCC3)n[nH]2)ccn1.
What is the InChIKey of 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine?
The InChIKey is DSOGDOPDZGHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-4-11(3-1)13-15-12(16-17-13)9-10-5-7-14-8-6-10/h5-8,11H,1-4,9H2,(H,15,16,17).
What are the key properties of 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine?
4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine has a molecular weight of 228.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine is sourced from PubChem (CID 61338891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).