4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine

C19H22N6 — CID 71364184

IUPAC4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine
SMILESc1cc(-c2nc(-c3ccncc3)n(CCN3CCCCC3)n2)ccn1
InChIInChI=1S/C19H22N6/c1-2-12-24(13-3-1)14-15-25-19(17-6-10-21-11-7-17)22-18(23-25)16-4-8-20-9-5-16/h4-11H,1-3,12-15H2
InChIKeyLZNJXAKHYNXTCL-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.89
Rot. Bonds5

About 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine

4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine (PubChem CID 71364184) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine
PubChem CID71364184
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine
SMILESc1cc(-c2nc(-c3ccncc3)n(CCN3CCCCC3)n2)ccn1
InChIInChI=1S/C19H22N6/c1-2-12-24(13-3-1)14-15-25-19(17-6-10-21-11-7-17)22-18(23-25)16-4-8-20-9-5-16/h4-11H,1-3,12-15H2
InChIKeyLZNJXAKHYNXTCL-UHFFFAOYSA-N
XLogP2.89
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine (CID 71364184) is 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine is c1cc(-c2nc(-c3ccncc3)n(CCN3CCCCC3)n2)ccn1.
What is the InChIKey of 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is LZNJXAKHYNXTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-2-12-24(13-3-1)14-15-25-19(17-6-10-21-11-7-17)22-18(23-25)16-4-8-20-9-5-16/h4-11H,1-3,12-15H2.
What are the key properties of 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine?
4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 334.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-piperidin-1-ylethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 71364184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).