2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide

C17H26N6O — CID 91782556

IUPAC2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide
SMILESCCC(CC)C(=O)NC1CC(c2nnc(Cn3cccn3)n2C)C1
InChIInChI=1S/C17H26N6O/c1-4-12(5-2)17(24)19-14-9-13(10-14)16-21-20-15(22(16)3)11-23-8-6-7-18-23/h6-8,12-14H,4-5,9-11H2,1-3H3,(H,19,24)
InChIKeyYEURUNWREFZCDR-UHFFFAOYSA-N
MW330.44 g/mol
LogP1.86
Rot. Bonds7

About 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide

2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide (PubChem CID 91782556) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide
PubChem CID91782556
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide
SMILESCCC(CC)C(=O)NC1CC(c2nnc(Cn3cccn3)n2C)C1
InChIInChI=1S/C17H26N6O/c1-4-12(5-2)17(24)19-14-9-13(10-14)16-21-20-15(22(16)3)11-23-8-6-7-18-23/h6-8,12-14H,4-5,9-11H2,1-3H3,(H,19,24)
InChIKeyYEURUNWREFZCDR-UHFFFAOYSA-N
XLogP1.86
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide (CID 91782556) is 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide is CCC(CC)C(=O)NC1CC(c2nnc(Cn3cccn3)n2C)C1.
What is the InChIKey of 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide?
The InChIKey is YEURUNWREFZCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-12(5-2)17(24)19-14-9-13(10-14)16-21-20-15(22(16)3)11-23-8-6-7-18-23/h6-8,12-14H,4-5,9-11H2,1-3H3,(H,19,24).
What are the key properties of 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide?
2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide has a molecular weight of 330.44 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]butanamide is sourced from PubChem (CID 91782556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).