N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide

C12H22N4O2 — CID 113348269

IUPACN-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(CCCO)CNC(=O)CCn1cncn1
InChIInChI=1S/C12H22N4O2/c1-12(2,5-3-7-17)8-14-11(18)4-6-16-10-13-9-15-16/h9-10,17H,3-8H2,1-2H3,(H,14,18)
InChIKeyHVKDAMMJYHNVNU-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.58
Rot. Bonds8

About N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide

N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 113348269) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID113348269
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)(CCCO)CNC(=O)CCn1cncn1
InChIInChI=1S/C12H22N4O2/c1-12(2,5-3-7-17)8-14-11(18)4-6-16-10-13-9-15-16/h9-10,17H,3-8H2,1-2H3,(H,14,18)
InChIKeyHVKDAMMJYHNVNU-UHFFFAOYSA-N
XLogP0.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113258923
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 81483875
N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66168569
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 87021120
N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66181091
N-(3-hydroxypropyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 110899828
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992
N-[3-(2-hydroxyethoxy)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 113364762
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 113348269) is N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(C)(CCCO)CNC(=O)CCn1cncn1.
What is the InChIKey of N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is HVKDAMMJYHNVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,5-3-7-17)8-14-11(18)4-6-16-10-13-9-15-16/h9-10,17H,3-8H2,1-2H3,(H,14,18).
What are the key properties of N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 254.33 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 113348269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).