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

C13H17ClN4 — CID 117132084

IUPAC5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCCC1Cc1nc2cccc(Cl)n2n1
InChIInChI=1S/C13H17ClN4/c1-2-17-8-4-5-10(17)9-12-15-13-7-3-6-11(14)18(13)16-12/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyFFYQMWMMUXXMRB-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.41
Rot. Bonds3

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

5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117132084) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117132084
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCN1CCCC1Cc1nc2cccc(Cl)n2n1
InChIInChI=1S/C13H17ClN4/c1-2-17-8-4-5-10(17)9-12-15-13-7-3-6-11(14)18(13)16-12/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyFFYQMWMMUXXMRB-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
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

methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132113
7-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134466
2-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxyimidazo[1,2-a]pyridine
CID 117131993
[2-[(1-methylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
CID 117132138
2-[(1-ethylpiperidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117136884
5-chloro-2-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117131935
2-(5-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanol
CID 117131064
5-chloro-2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117132829
methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132114
2-[(1-ethylpyrrolidin-2-yl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 117129834
2-(1-ethylpiperidin-2-yl)-5-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117131864
6-chloro-2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117129563

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 117132084) is 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is CCN1CCCC1Cc1nc2cccc(Cl)n2n1.
What is the InChIKey of 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FFYQMWMMUXXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4/c1-2-17-8-4-5-10(17)9-12-15-13-7-3-6-11(14)18(13)16-12/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 264.76 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117132084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).