N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C11H18N4O3 — CID 138017262

IUPACN-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NCC(O)C2CCC2)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-7-13-15(11(14)18)6-10(17)12-5-9(16)8-3-2-4-8/h7-9,16H,2-6H2,1H3,(H,12,17)
InChIKeyXVFHLIQSWPXMSW-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.14
Rot. Bonds5

About N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 138017262) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID138017262
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC NameN-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCn1cnn(CC(=O)NCC(O)C2CCC2)c1=O
InChIInChI=1S/C11H18N4O3/c1-14-7-13-15(11(14)18)6-10(17)12-5-9(16)8-3-2-4-8/h7-9,16H,2-6H2,1H3,(H,12,17)
InChIKeyXVFHLIQSWPXMSW-UHFFFAOYSA-N
XLogP-1.14
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxy-2-propylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940292
N-[(2-hydroxycyclopentyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940298
N-(4-hydroxy-2,2-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940309
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940318
N-(2-hydroxy-3-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940320
N-(3-ethyl-2-hydroxypentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940573
N-(2-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109940576
N-[(2-hydroxycyclohexyl)methyl]-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109993780
N-(2-hydroxy-3-methylbutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 109993799
N-(3-hydroxy-4-methylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007337
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007349
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 110007615

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 138017262) is N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is Cn1cnn(CC(=O)NCC(O)C2CCC2)c1=O.
What is the InChIKey of N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is XVFHLIQSWPXMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-14-7-13-15(11(14)18)6-10(17)12-5-9(16)8-3-2-4-8/h7-9,16H,2-6H2,1H3,(H,12,17).
What are the key properties of N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 254.29 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-2-hydroxyethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 138017262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).