N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C13H24N4O3 — CID 110007716

IUPACN-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCC(CC)(CCO)CNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C13H24N4O3/c1-4-13(5-2,6-7-18)9-14-11(19)8-17-12(20)16(3)10-15-17/h10,18H,4-9H2,1-3H3,(H,14,19)
InChIKeyCJKVTYBYVNPSEY-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.11
Rot. Bonds8

About N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 110007716) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID110007716
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC NameN-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESCCC(CC)(CCO)CNC(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C13H24N4O3/c1-4-13(5-2,6-7-18)9-14-11(19)8-17-12(20)16(3)10-15-17/h10,18H,4-9H2,1-3H3,(H,14,19)
InChIKeyCJKVTYBYVNPSEY-UHFFFAOYSA-N
XLogP-0.11
TPSA89.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 110007716) is N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is CCC(CC)(CCO)CNC(=O)Cn1ncn(C)c1=O.
What is the InChIKey of N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is CJKVTYBYVNPSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-4-13(5-2,6-7-18)9-14-11(19)8-17-12(20)16(3)10-15-17/h10,18H,4-9H2,1-3H3,(H,14,19).
What are the key properties of N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 284.36 g/mol, XLogP of -0.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-4-hydroxybutyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 110007716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).