N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide

C13H22N4O2 — CID 86792831

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C13H22N4O2/c1-4-19-9(2)13(18)14-8-11-15-16-12(17(11)3)10-6-5-7-10/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyKOEUNPGYDRKTDU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.12
Rot. Bonds6

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide (PubChem CID 86792831) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide
PubChem CID86792831
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide
SMILESCCOC(C)C(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C13H22N4O2/c1-4-19-9(2)13(18)14-8-11-15-16-12(17(11)3)10-6-5-7-10/h9-10H,4-8H2,1-3H3,(H,14,18)
InChIKeyKOEUNPGYDRKTDU-UHFFFAOYSA-N
XLogP1.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide (CID 86792831) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide is CCOC(C)C(=O)NCc1nnc(C2CCC2)n1C.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide?
The InChIKey is KOEUNPGYDRKTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-19-9(2)13(18)14-8-11-15-16-12(17(11)3)10-6-5-7-10/h9-10H,4-8H2,1-3H3,(H,14,18).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethoxypropanamide is sourced from PubChem (CID 86792831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).