ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate

C17H17N3O3 — CID 163629671

IUPACethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnn2c(C)c(OCc3ccccc3)ccc12
InChIInChI=1S/C17H17N3O3/c1-3-22-17(21)16-14-9-10-15(12(2)20(14)19-18-16)23-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyHUZRNNYUMFWMCW-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.79
Rot. Bonds5

About ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate

ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 163629671) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate
PubChem CID163629671
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnn2c(C)c(OCc3ccccc3)ccc12
InChIInChI=1S/C17H17N3O3/c1-3-22-17(21)16-14-9-10-15(12(2)20(14)19-18-16)23-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyHUZRNNYUMFWMCW-UHFFFAOYSA-N
XLogP2.79
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate (CID 163629671) is ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1nnn2c(C)c(OCc3ccccc3)ccc12.
What is the InChIKey of ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is HUZRNNYUMFWMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-22-17(21)16-14-9-10-15(12(2)20(14)19-18-16)23-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate?
ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-6-phenylmethoxytriazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 163629671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).