2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine

C14H18ClN5 — CID 167805491

IUPAC2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine
SMILESClc1ccc(-c2cn(CCC3CCNCC3)nn2)cn1
InChIInChI=1S/C14H18ClN5/c15-14-2-1-12(9-17-14)13-10-20(19-18-13)8-5-11-3-6-16-7-4-11/h1-2,9-11,16H,3-8H2
InChIKeyNEXCDPFYYLLVPF-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.38
Rot. Bonds4

About 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine

2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine (PubChem CID 167805491) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine
PubChem CID167805491
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine
SMILESClc1ccc(-c2cn(CCC3CCNCC3)nn2)cn1
InChIInChI=1S/C14H18ClN5/c15-14-2-1-12(9-17-14)13-10-20(19-18-13)8-5-11-3-6-16-7-4-11/h1-2,9-11,16H,3-8H2
InChIKeyNEXCDPFYYLLVPF-UHFFFAOYSA-N
XLogP2.38
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine?
The IUPAC name of 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine (CID 167805491) is 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine.
What is the SMILES notation for 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine?
The canonical SMILES for 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine is Clc1ccc(-c2cn(CCC3CCNCC3)nn2)cn1.
What is the InChIKey of 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine?
The InChIKey is NEXCDPFYYLLVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c15-14-2-1-12(9-17-14)13-10-20(19-18-13)8-5-11-3-6-16-7-4-11/h1-2,9-11,16H,3-8H2.
What are the key properties of 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine?
2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine has a molecular weight of 291.79 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(2-piperidin-4-ylethyl)triazol-4-yl]pyridine is sourced from PubChem (CID 167805491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).