N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide

C11H20N4O2 — CID 113258923

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCn1cncn1
InChIInChI=1S/C11H20N4O2/c1-11(2,4-6-16)7-13-10(17)3-5-15-9-12-8-14-15/h8-9,16H,3-7H2,1-2H3,(H,13,17)
InChIKeyVKUXSGAQDCGVGT-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.19
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 113258923) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID113258923
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(CCO)CNC(=O)CCn1cncn1
InChIInChI=1S/C11H20N4O2/c1-11(2,4-6-16)7-13-10(17)3-5-15-9-12-8-14-15/h8-9,16H,3-7H2,1-2H3,(H,13,17)
InChIKeyVKUXSGAQDCGVGT-UHFFFAOYSA-N
XLogP0.19
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 113258923) is N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(C)(CCO)CNC(=O)CCn1cncn1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is VKUXSGAQDCGVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-11(2,4-6-16)7-13-10(17)3-5-15-9-12-8-14-15/h8-9,16H,3-7H2,1-2H3,(H,13,17).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 240.31 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 113258923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).