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

C16H15N5O4 — CID 166887319

IUPAC4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid
SMILESCCn1nc2cc(N3CCOc4cc(C(=O)O)cnc43)ccn2c1=O
InChIInChI=1S/C16H15N5O4/c1-2-21-16(24)20-4-3-11(8-13(20)18-21)19-5-6-25-12-7-10(15(22)23)9-17-14(12)19/h3-4,7-9H,2,5-6H2,1H3,(H,22,23)
InChIKeyPUUYTWCXLRXWKA-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.14
Rot. Bonds3

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

4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid (PubChem CID 166887319) has the molecular formula C16H15N5O4 and a molecular weight of 341.33 g/mol. Its IUPAC name is 4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid
PubChem CID166887319
Molecular FormulaC16H15N5O4
Molecular Weight341.33 g/mol
Exact Mass341.11
IUPAC Name4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid
SMILESCCn1nc2cc(N3CCOc4cc(C(=O)O)cnc43)ccn2c1=O
InChIInChI=1S/C16H15N5O4/c1-2-21-16(24)20-4-3-11(8-13(20)18-21)19-5-6-25-12-7-10(15(22)23)9-17-14(12)19/h3-4,7-9H,2,5-6H2,1H3,(H,22,23)
InChIKeyPUUYTWCXLRXWKA-UHFFFAOYSA-N
XLogP1.14
TPSA101.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid (CID 166887319) is 4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid is CCn1nc2cc(N3CCOc4cc(C(=O)O)cnc43)ccn2c1=O.
What is the InChIKey of 4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is PUUYTWCXLRXWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O4/c1-2-21-16(24)20-4-3-11(8-13(20)18-21)19-5-6-25-12-7-10(15(22)23)9-17-14(12)19/h3-4,7-9H,2,5-6H2,1H3,(H,22,23).
What are the key properties of 4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid?
4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 341.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 166887319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).