4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one

C15H19N5O3 — CID 167913694

IUPAC4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one
SMILESCCn1c(C)nn(CC(=O)N2CCOc3nc(C)ccc32)c1=O
InChIInChI=1S/C15H19N5O3/c1-4-18-11(3)17-20(15(18)22)9-13(21)19-7-8-23-14-12(19)6-5-10(2)16-14/h5-6H,4,7-9H2,1-3H3
InChIKeyGDRPXNMFULEKMI-UHFFFAOYSA-N
MW317.35 g/mol
LogP0.50
Rot. Bonds3

About 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one

4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one (PubChem CID 167913694) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one
PubChem CID167913694
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one
SMILESCCn1c(C)nn(CC(=O)N2CCOc3nc(C)ccc32)c1=O
InChIInChI=1S/C15H19N5O3/c1-4-18-11(3)17-20(15(18)22)9-13(21)19-7-8-23-14-12(19)6-5-10(2)16-14/h5-6H,4,7-9H2,1-3H3
InChIKeyGDRPXNMFULEKMI-UHFFFAOYSA-N
XLogP0.50
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one (CID 167913694) is 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one is CCn1c(C)nn(CC(=O)N2CCOc3nc(C)ccc32)c1=O.
What is the InChIKey of 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
The InChIKey is GDRPXNMFULEKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-4-18-11(3)17-20(15(18)22)9-13(21)19-7-8-23-14-12(19)6-5-10(2)16-14/h5-6H,4,7-9H2,1-3H3.
What are the key properties of 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one?
4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one has a molecular weight of 317.35 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[2-(6-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2-oxoethyl]-1,2,4-triazol-3-one is sourced from PubChem (CID 167913694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).