5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

C12H15ClN4 — CID 117131935

IUPAC5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCCCC1c1nc2cccc(Cl)n2n1
InChIInChI=1S/C12H15ClN4/c1-16-8-3-2-5-9(16)12-14-11-7-4-6-10(13)17(11)15-12/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyIVEHFKCSGJISCX-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.54
Rot. Bonds1

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

5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117131935) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117131935
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCCCC1c1nc2cccc(Cl)n2n1
InChIInChI=1S/C12H15ClN4/c1-16-8-3-2-5-9(16)12-14-11-7-4-6-10(13)17(11)15-12/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyIVEHFKCSGJISCX-UHFFFAOYSA-N
XLogP2.54
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84750927
5-chloro-2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117131179
8-methyl-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117136604
2-(1-ethylpiperidin-2-yl)-5-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117131864
7-chloro-5-cyclobutyl-2-(1-methylpiperidin-2-yl)pyrazolo[1,5-a]pyrimidine
CID 154969582
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132084
4,6-dimethyl-2-[(2S)-1-methylpiperidin-2-yl]pyrimidine
CID 95817120
4-chloro-6-methyl-2-[(2R)-1-methylpiperidin-2-yl]pyrimidine
CID 95804428
methyl 2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134357
[2-(1-propan-2-ylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117131748
[2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132138
2-(1-methylpyrrolidin-2-yl)pyrimidine
CID 89060530

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117131935) is 5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is CN1CCCCC1c1nc2cccc(Cl)n2n1.
What is the InChIKey of 5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IVEHFKCSGJISCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c1-16-8-3-2-5-9(16)12-14-11-7-4-6-10(13)17(11)15-12/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of 5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 250.73 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117131935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).