8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one

C17H23N5O4 — CID 166355205

IUPAC8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one
SMILESCOCCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N2CCOCC2C1
InChIInChI=1S/C17H23N5O4/c1-12-3-4-14(26-12)16-18-19-17(22(16)5-7-24-2)20-9-13-11-25-8-6-21(13)15(23)10-20/h3-4,13H,5-11H2,1-2H3
InChIKeyCRWHZMWOGPEGLQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP0.54
Rot. Bonds5

About 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one

8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one (PubChem CID 166355205) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one
PubChem CID166355205
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one
SMILESCOCCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N2CCOCC2C1
InChIInChI=1S/C17H23N5O4/c1-12-3-4-14(26-12)16-18-19-17(22(16)5-7-24-2)20-9-13-11-25-8-6-21(13)15(23)10-20/h3-4,13H,5-11H2,1-2H3
InChIKeyCRWHZMWOGPEGLQ-UHFFFAOYSA-N
XLogP0.54
TPSA85.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one?
The IUPAC name of 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one (CID 166355205) is 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one is COCCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N2CCOCC2C1.
What is the InChIKey of 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one?
The InChIKey is CRWHZMWOGPEGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-12-3-4-14(26-12)16-18-19-17(22(16)5-7-24-2)20-9-13-11-25-8-6-21(13)15(23)10-20/h3-4,13H,5-11H2,1-2H3.
What are the key properties of 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one?
8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one has a molecular weight of 361.40 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-methoxyethyl)-5-(5-methylfuran-2-yl)-1,2,4-triazol-3-yl]-1,3,4,7,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 166355205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).