7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine

C12H15ClN4 — CID 117135580

IUPAC7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccn2nc(CCN3CCCC3)nc2c1
InChIInChI=1S/C12H15ClN4/c13-10-3-8-17-12(9-10)14-11(15-17)4-7-16-5-1-2-6-16/h3,8-9H,1-2,4-7H2
InChIKeyOCQPBYZIISWEIP-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.02
Rot. Bonds3

About 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine

7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117135580) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117135580
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESClc1ccn2nc(CCN3CCCC3)nc2c1
InChIInChI=1S/C12H15ClN4/c13-10-3-8-17-12(9-10)14-11(15-17)4-7-16-5-1-2-6-16/h3,8-9H,1-2,4-7H2
InChIKeyOCQPBYZIISWEIP-UHFFFAOYSA-N
XLogP2.02
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135581
7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135577
2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117135584
7-chloro-2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117133947
7-chloro-2-(thiolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117134433
7-chloro-2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257910
7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
2-benzyl-7-chloro-[1,2,4]triazolo[1,5-a]pyridine
CID 117134952
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135596
7-chloro-2-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134724
7-chloro-2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117257860
7-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135194

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117135580) is 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine is Clc1ccn2nc(CCN3CCCC3)nc2c1.
What is the InChIKey of 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is OCQPBYZIISWEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c13-10-3-8-17-12(9-10)14-11(15-17)4-7-16-5-1-2-6-16/h3,8-9H,1-2,4-7H2.
What are the key properties of 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 250.73 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117135580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).