5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine

C12H16ClN3 — CID 165476285

IUPAC5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCc1nc2cc(C)c(CC)c(Cl)n2n1
InChIInChI=1S/C12H16ClN3/c1-4-6-10-14-11-7-8(3)9(5-2)12(13)16(11)15-10/h7H,4-6H2,1-3H3
InChIKeyACGVIQQXDACROS-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.21
Rot. Bonds3

About 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165476285) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165476285
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCCc1nc2cc(C)c(CC)c(Cl)n2n1
InChIInChI=1S/C12H16ClN3/c1-4-6-10-14-11-7-8(3)9(5-2)12(13)16(11)15-10/h7H,4-6H2,1-3H3
InChIKeyACGVIQQXDACROS-UHFFFAOYSA-N
XLogP3.21
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine (CID 165476285) is 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine is CCCc1nc2cc(C)c(CC)c(Cl)n2n1.
What is the InChIKey of 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ACGVIQQXDACROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-4-6-10-14-11-7-8(3)9(5-2)12(13)16(11)15-10/h7H,4-6H2,1-3H3.
What are the key properties of 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 237.73 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-7-methyl-2-propyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165476285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).