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

C13H17ClN4 — CID 117141402

IUPAC5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC(Cc2nnc3cccc(Cl)n23)C1
InChIInChI=1S/C13H17ClN4/c1-2-17-7-6-10(9-17)8-13-16-15-12-5-3-4-11(14)18(12)13/h3-5,10H,2,6-9H2,1H3
InChIKeyXJHBHOXPIDSPRN-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.27
Rot. Bonds3

About 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117141402) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117141402
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC(Cc2nnc3cccc(Cl)n23)C1
InChIInChI=1S/C13H17ClN4/c1-2-17-7-6-10(9-17)8-13-16-15-12-5-3-4-11(14)18(12)13/h3-5,10H,2,6-9H2,1H3
InChIKeyXJHBHOXPIDSPRN-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

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142712
8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146365
5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141381
5-chloro-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117141708
3-[(1-ethylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117148380
5-bromo-3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[1,5-a]pyridine
CID 117141395
5-chloro-2-[(1-ethylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132335
4-[2-(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]morpholine
CID 117142388
(5-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257045
[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 117140724
2-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131432
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
CID 117140734

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117141402) is 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCC(Cc2nnc3cccc(Cl)n23)C1.
What is the InChIKey of 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is XJHBHOXPIDSPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-2-17-7-6-10(9-17)8-13-16-15-12-5-3-4-11(14)18(12)13/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
5-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 5-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117141402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).