ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate

C15H22N4O4 — CID 155502067

IUPACethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CCc3ncnn3C2)CCOCC1
InChIInChI=1S/C15H22N4O4/c1-2-23-14(21)15(5-7-22-8-6-15)18-13(20)11-3-4-12-16-10-17-19(12)9-11/h10-11H,2-9H2,1H3,(H,18,20)
InChIKeyPYTDBBMUORUBNK-UHFFFAOYSA-N
MW322.37 g/mol
LogP0.07
Rot. Bonds4

About ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate

ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate (PubChem CID 155502067) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate
PubChem CID155502067
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Nameethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate
SMILESCCOC(=O)C1(NC(=O)C2CCc3ncnn3C2)CCOCC1
InChIInChI=1S/C15H22N4O4/c1-2-23-14(21)15(5-7-22-8-6-15)18-13(20)11-3-4-12-16-10-17-19(12)9-11/h10-11H,2-9H2,1H3,(H,18,20)
InChIKeyPYTDBBMUORUBNK-UHFFFAOYSA-N
XLogP0.07
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate?
The IUPAC name of ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate (CID 155502067) is ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate.
What is the SMILES notation for ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate?
The canonical SMILES for ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate is CCOC(=O)C1(NC(=O)C2CCc3ncnn3C2)CCOCC1.
What is the InChIKey of ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate?
The InChIKey is PYTDBBMUORUBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-2-23-14(21)15(5-7-22-8-6-15)18-13(20)11-3-4-12-16-10-17-19(12)9-11/h10-11H,2-9H2,1H3,(H,18,20).
What are the key properties of ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate?
ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate has a molecular weight of 322.37 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carbonylamino)oxane-4-carboxylate is sourced from PubChem (CID 155502067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).