methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate

C18H17N3O3 — CID 46834386

IUPACmethyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc(OC)c3nc(C4CC4)nn23)c1
InChIInChI=1S/C18H17N3O3/c1-23-15-9-8-14(12-4-3-5-13(10-12)18(22)24-2)21-17(15)19-16(20-21)11-6-7-11/h3-5,8-11H,6-7H2,1-2H3
InChIKeyWLPPWTRPCMMKCE-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.07
Rot. Bonds4

About methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate

methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate (PubChem CID 46834386) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
PubChem CID46834386
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Namemethyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
SMILESCOC(=O)c1cccc(-c2ccc(OC)c3nc(C4CC4)nn23)c1
InChIInChI=1S/C18H17N3O3/c1-23-15-9-8-14(12-4-3-5-13(10-12)18(22)24-2)21-17(15)19-16(20-21)11-6-7-11/h3-5,8-11H,6-7H2,1-2H3
InChIKeyWLPPWTRPCMMKCE-UHFFFAOYSA-N
XLogP3.07
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate?
The IUPAC name of methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate (CID 46834386) is methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate.
What is the SMILES notation for methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate?
The canonical SMILES for methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate is COC(=O)c1cccc(-c2ccc(OC)c3nc(C4CC4)nn23)c1.
What is the InChIKey of methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate?
The InChIKey is WLPPWTRPCMMKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-15-9-8-14(12-4-3-5-13(10-12)18(22)24-2)21-17(15)19-16(20-21)11-6-7-11/h3-5,8-11H,6-7H2,1-2H3.
What are the key properties of methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate?
methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate has a molecular weight of 323.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclopropyl-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate is sourced from PubChem (CID 46834386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).