methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate

C11H11N3O2 — CID 116989438

IUPACmethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3ccccn3n2)CC1
InChIInChI=1S/C11H11N3O2/c1-16-10(15)11(5-6-11)9-12-8-4-2-3-7-14(8)13-9/h2-4,7H,5-6H2,1H3
InChIKeyCEEJQQWXJVEFRQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.93
Rot. Bonds2

About methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate

methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate (PubChem CID 116989438) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
PubChem CID116989438
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Namemethyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc3ccccn3n2)CC1
InChIInChI=1S/C11H11N3O2/c1-16-10(15)11(5-6-11)9-12-8-4-2-3-7-14(8)13-9/h2-4,7H,5-6H2,1H3
InChIKeyCEEJQQWXJVEFRQ-UHFFFAOYSA-N
XLogP0.93
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate (CID 116989438) is methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2nc3ccccn3n2)CC1.
What is the InChIKey of methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate?
The InChIKey is CEEJQQWXJVEFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-10(15)11(5-6-11)9-12-8-4-2-3-7-14(8)13-9/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate?
methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116989438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).