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

C10H18N4O2 — CID 65115000

IUPACN-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(C)(O)CNC(=O)C(C)n1cncn1
InChIInChI=1S/C10H18N4O2/c1-4-10(3,16)5-12-9(15)8(2)14-7-11-6-13-14/h6-8,16H,4-5H2,1-3H3,(H,12,15)
InChIKeyXNGYDSZDPMOESA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.12
Rot. Bonds5

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

N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 65115000) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID65115000
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCCC(C)(O)CNC(=O)C(C)n1cncn1
InChIInChI=1S/C10H18N4O2/c1-4-10(3,16)5-12-9(15)8(2)14-7-11-6-13-14/h6-8,16H,4-5H2,1-3H3,(H,12,15)
InChIKeyXNGYDSZDPMOESA-UHFFFAOYSA-N
XLogP0.12
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 66170276
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 113239576
(2R)-2-(1,2,4-triazol-1-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 94069814
N-(2-methylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 60729141
N-(2-hydroxyethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43417459
N-[(2R)-2-hydroxypropyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 83032149
N-pentan-2-yl-2-(1,2,4-triazol-1-yl)propanamide
CID 60729091
2-methyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]pentanoic acid
CID 43619101
N-(1-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 43419282
(2S)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 95334304
N-[(2R)-1-aminopropan-2-yl]-2-(1,2,4-triazol-1-yl)propanamide
CID 104873120
N-(4-hydroxybutan-2-yl)-2-(1,2,4-triazol-1-yl)propanamide
CID 115283422

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 65115000) is N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide is CCC(C)(O)CNC(=O)C(C)n1cncn1.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XNGYDSZDPMOESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-10(3,16)5-12-9(15)8(2)14-7-11-6-13-14/h6-8,16H,4-5H2,1-3H3,(H,12,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(2-hydroxy-2-methylbutyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 226.28 g/mol, XLogP of 0.12, 5 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)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 65115000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).