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

C11H14ClN5 — CID 116990137

IUPAC6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCNCC1c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H14ClN5/c1-16-5-4-13-6-9(16)11-14-10-3-2-8(12)7-17(10)15-11/h2-3,7,9,13H,4-6H2,1H3
InChIKeyGBQJSEOKNOOFBJ-UHFFFAOYSA-N
MW251.72 g/mol
LogP0.96
Rot. Bonds1

About 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 116990137) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID116990137
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCN1CCNCC1c1nc2ccc(Cl)cn2n1
InChIInChI=1S/C11H14ClN5/c1-16-5-4-13-6-9(16)11-14-10-3-2-8(12)7-17(10)15-11/h2-3,7,9,13H,4-6H2,1H3
InChIKeyGBQJSEOKNOOFBJ-UHFFFAOYSA-N
XLogP0.96
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117129563
5-[(4-chlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956073
6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole
CID 82666808
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
5-[(2,5-dichlorophenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960201
5-[2-(3,5-dichlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956221
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
5-[1-(3-chlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956834
6-chloro-N,N-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 122399895
5-[(2,6-dichlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957600
5-[(E)-2-(5-chloro-2-methoxyphenyl)ethenyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957992
6-chloro-2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117129973

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 116990137) is 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is CN1CCNCC1c1nc2ccc(Cl)cn2n1.
What is the InChIKey of 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GBQJSEOKNOOFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-16-5-4-13-6-9(16)11-14-10-3-2-8(12)7-17(10)15-11/h2-3,7,9,13H,4-6H2,1H3.
What are the key properties of 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 251.72 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1-methylpiperazin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 116990137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).