N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide

C10H18N4O2 — CID 65114451

IUPACN-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide
SMILESCCC(C)(O)CNC(=O)CCn1ccnn1
InChIInChI=1S/C10H18N4O2/c1-3-10(2,16)8-11-9(15)4-6-14-7-5-12-13-14/h5,7,16H,3-4,6,8H2,1-2H3,(H,11,15)
InChIKeyXAULFMVAILBVMK-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.05
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide

N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide (PubChem CID 65114451) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide
PubChem CID65114451
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide
SMILESCCC(C)(O)CNC(=O)CCn1ccnn1
InChIInChI=1S/C10H18N4O2/c1-3-10(2,16)8-11-9(15)4-6-14-7-5-12-13-14/h5,7,16H,3-4,6,8H2,1-2H3,(H,11,15)
InChIKeyXAULFMVAILBVMK-UHFFFAOYSA-N
XLogP-0.05
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide (CID 65114451) is N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide is CCC(C)(O)CNC(=O)CCn1ccnn1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide?
The InChIKey is XAULFMVAILBVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-10(2,16)8-11-9(15)4-6-14-7-5-12-13-14/h5,7,16H,3-4,6,8H2,1-2H3,(H,11,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide?
N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide has a molecular weight of 226.28 g/mol, XLogP of -0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 65114451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).