5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

C12H14ClN5 — CID 67027843

IUPAC5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESClc1ccc(-c2n[nH]c(C3CCNCC3)n2)nc1
InChIInChI=1S/C12H14ClN5/c13-9-1-2-10(15-7-9)12-16-11(17-18-12)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2,(H,16,17,18)
InChIKeyXRBZVTMWPCTMMZ-UHFFFAOYSA-N
MW263.73 g/mol
LogP1.99
Rot. Bonds2

About 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 67027843) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID67027843
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESClc1ccc(-c2n[nH]c(C3CCNCC3)n2)nc1
InChIInChI=1S/C12H14ClN5/c13-9-1-2-10(15-7-9)12-16-11(17-18-12)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2,(H,16,17,18)
InChIKeyXRBZVTMWPCTMMZ-UHFFFAOYSA-N
XLogP1.99
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 67027843) is 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is Clc1ccc(-c2n[nH]c(C3CCNCC3)n2)nc1.
What is the InChIKey of 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is XRBZVTMWPCTMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c13-9-1-2-10(15-7-9)12-16-11(17-18-12)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2,(H,16,17,18).
What are the key properties of 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 263.73 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 67027843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).