ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate

C17H17N5O4 — CID 154642581

IUPACethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)OCCN2c1ccn2c(=O)n(C)nc2c1
InChIInChI=1S/C17H17N5O4/c1-3-25-16(23)11-8-13-15(18-10-11)21(6-7-26-13)12-4-5-22-14(9-12)19-20(2)17(22)24/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyHTXAQSNMLAXFNN-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.14
Rot. Bonds3

About ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate

ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate (PubChem CID 154642581) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate
PubChem CID154642581
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Nameethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate
SMILESCCOC(=O)c1cnc2c(c1)OCCN2c1ccn2c(=O)n(C)nc2c1
InChIInChI=1S/C17H17N5O4/c1-3-25-16(23)11-8-13-15(18-10-11)21(6-7-26-13)12-4-5-22-14(9-12)19-20(2)17(22)24/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyHTXAQSNMLAXFNN-UHFFFAOYSA-N
XLogP1.14
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate?
The IUPAC name of ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate (CID 154642581) is ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate.
What is the SMILES notation for ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate?
The canonical SMILES for ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate is CCOC(=O)c1cnc2c(c1)OCCN2c1ccn2c(=O)n(C)nc2c1.
What is the InChIKey of ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate?
The InChIKey is HTXAQSNMLAXFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-3-25-16(23)11-8-13-15(18-10-11)21(6-7-26-13)12-4-5-22-14(9-12)19-20(2)17(22)24/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate?
ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate is sourced from PubChem (CID 154642581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).