4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

C20H28N6 — CID 70768111

IUPAC4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESc1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ccn1
InChIInChI=1S/C20H28N6/c1-2-12-24(11-1)15-19-22-23-20(26(19)18-3-4-18)16-7-13-25(14-8-16)17-5-9-21-10-6-17/h5-6,9-10,16,18H,1-4,7-8,11-15H2
InChIKeyWVCBCNGHMZDACV-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.99
Rot. Bonds5

About 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine

4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (PubChem CID 70768111) has the molecular formula C20H28N6 and a molecular weight of 352.49 g/mol. Its IUPAC name is 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
PubChem CID70768111
Molecular FormulaC20H28N6
Molecular Weight352.49 g/mol
Exact Mass352.24
IUPAC Name4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
SMILESc1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ccn1
InChIInChI=1S/C20H28N6/c1-2-12-24(11-1)15-19-22-23-20(26(19)18-3-4-18)16-7-13-25(14-8-16)17-5-9-21-10-6-17/h5-6,9-10,16,18H,1-4,7-8,11-15H2
InChIKeyWVCBCNGHMZDACV-UHFFFAOYSA-N
XLogP2.99
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The IUPAC name of 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine (CID 70768111) is 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is c1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)ccn1.
What is the InChIKey of 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
The InChIKey is WVCBCNGHMZDACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6/c1-2-12-24(11-1)15-19-22-23-20(26(19)18-3-4-18)16-7-13-25(14-8-16)17-5-9-21-10-6-17/h5-6,9-10,16,18H,1-4,7-8,11-15H2.
What are the key properties of 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine?
4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine has a molecular weight of 352.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 70768111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).