N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide

C13H22N4O2 — CID 122557182

IUPACN-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCOCC1)c1ncnn1C
InChIInChI=1S/C13H22N4O2/c1-9(2)11(12-14-8-15-17(12)3)16-13(18)10-4-6-19-7-5-10/h8-11H,4-7H2,1-3H3,(H,16,18)
InChIKeyJGVRFQHEZSBEFO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.05
Rot. Bonds4

About N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide

N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide (PubChem CID 122557182) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
PubChem CID122557182
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCOCC1)c1ncnn1C
InChIInChI=1S/C13H22N4O2/c1-9(2)11(12-14-8-15-17(12)3)16-13(18)10-4-6-19-7-5-10/h8-11H,4-7H2,1-3H3,(H,16,18)
InChIKeyJGVRFQHEZSBEFO-UHFFFAOYSA-N
XLogP1.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide?
The IUPAC name of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide (CID 122557182) is N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide is CC(C)C(NC(=O)C1CCOCC1)c1ncnn1C.
What is the InChIKey of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide?
The InChIKey is JGVRFQHEZSBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(2)11(12-14-8-15-17(12)3)16-13(18)10-4-6-19-7-5-10/h8-11H,4-7H2,1-3H3,(H,16,18).
What are the key properties of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide?
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]oxane-4-carboxamide is sourced from PubChem (CID 122557182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).