5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

C11H14ClN3O — CID 165475769

IUPAC5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOCc1nc2cc(C(C)C)cc(Cl)n2n1
InChIInChI=1S/C11H14ClN3O/c1-7(2)8-4-9(12)15-11(5-8)13-10(14-15)6-16-3/h4-5,7H,6H2,1-3H3
InChIKeyYUNHJLVXGBTDAB-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.65
Rot. Bonds3

About 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine

5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165475769) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165475769
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOCc1nc2cc(C(C)C)cc(Cl)n2n1
InChIInChI=1S/C11H14ClN3O/c1-7(2)8-4-9(12)15-11(5-8)13-10(14-15)6-16-3/h4-5,7H,6H2,1-3H3
InChIKeyYUNHJLVXGBTDAB-UHFFFAOYSA-N
XLogP2.65
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 165475769) is 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is COCc1nc2cc(C(C)C)cc(Cl)n2n1.
What is the InChIKey of 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is YUNHJLVXGBTDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-7(2)8-4-9(12)15-11(5-8)13-10(14-15)6-16-3/h4-5,7H,6H2,1-3H3.
What are the key properties of 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine?
5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 239.71 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methoxymethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165475769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).