8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H17ClN4 — CID 117146365

IUPAC8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC(Cc2nnc3c(Cl)cccn23)C1
InChIInChI=1S/C13H17ClN4/c1-2-17-7-5-10(9-17)8-12-15-16-13-11(14)4-3-6-18(12)13/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeyBKZWUWRPYAKOSE-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.27
Rot. Bonds3

About 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146365) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146365
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC(Cc2nnc3c(Cl)cccn23)C1
InChIInChI=1S/C13H17ClN4/c1-2-17-7-5-10(9-17)8-12-15-16-13-11(14)4-3-6-18(12)13/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeyBKZWUWRPYAKOSE-UHFFFAOYSA-N
XLogP2.27
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

[3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145787
8-chloro-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146756
5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141402
[3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145686
8-chloro-3-(thian-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146698
7-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117143904
8-chloro-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117146357
3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146785
8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146253
3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146249
3-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148380
2-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridin-8-ol
CID 117136102

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117146365) is 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCC(Cc2nnc3c(Cl)cccn23)C1.
What is the InChIKey of 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BKZWUWRPYAKOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-2-17-7-5-10(9-17)8-12-15-16-13-11(14)4-3-6-18(12)13/h3-4,6,10H,2,5,7-9H2,1H3.
What are the key properties of 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 264.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).