7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

C14H19ClN4 — CID 117133947

IUPAC7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCC(Cc2nc3cc(Cl)ccn3n2)CC1
InChIInChI=1S/C14H19ClN4/c1-2-18-6-3-11(4-7-18)9-13-16-14-10-12(15)5-8-19(14)17-13/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyRHNAEIANNKUELQ-UHFFFAOYSA-N
MW278.79 g/mol
LogP2.66
Rot. Bonds3

About 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine

7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117133947) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117133947
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC Name7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCC(Cc2nc3cc(Cl)ccn3n2)CC1
InChIInChI=1S/C14H19ClN4/c1-2-18-6-3-11(4-7-18)9-13-16-14-10-12(15)5-8-19(14)17-13/h5,8,10-11H,2-4,6-7,9H2,1H3
InChIKeyRHNAEIANNKUELQ-UHFFFAOYSA-N
XLogP2.66
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117133947) is 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is CCN1CCC(Cc2nc3cc(Cl)ccn3n2)CC1.
What is the InChIKey of 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RHNAEIANNKUELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4/c1-2-18-6-3-11(4-7-18)9-13-16-14-10-12(15)5-8-19(14)17-13/h5,8,10-11H,2-4,6-7,9H2,1H3.
What are the key properties of 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 278.79 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117133947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).