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

C12H22N4O2 — CID 66181091

IUPACN-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)CCn1cncn1
InChIInChI=1S/C12H22N4O2/c1-10(2)6-12(3,18)7-14-11(17)4-5-16-9-13-8-15-16/h8-10,18H,4-7H2,1-3H3,(H,14,17)
InChIKeySVAIKFNBMAFWLJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.58
Rot. Bonds7

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

N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 66181091) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID66181091
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C)CC(C)(O)CNC(=O)CCn1cncn1
InChIInChI=1S/C12H22N4O2/c1-10(2)6-12(3,18)7-14-11(17)4-5-16-9-13-8-15-16/h8-10,18H,4-7H2,1-3H3,(H,14,17)
InChIKeySVAIKFNBMAFWLJ-UHFFFAOYSA-N
XLogP0.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

Analyze N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66168569
N-(2-amino-2-methylpropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 81483875
N-(4-hydroxy-2,2-dimethylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113258923
N-[(2R)-2-hydroxypropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 83032454
N-(5-hydroxy-2,2-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 113348269
N-(2-aminopropyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 63733343
N-(4-hydroxy-2-methylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66108992
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 87021120
3,3-dimethyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid
CID 43467801
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66172265
N-(2-hydroxy-2,4-dimethylpentyl)pentanamide
CID 66178352
N-[(2S)-2-(2,6-dichlorophenyl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 95296206

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 66181091) is N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide is CC(C)CC(C)(O)CNC(=O)CCn1cncn1.
What is the InChIKey of N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is SVAIKFNBMAFWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-10(2)6-12(3,18)7-14-11(17)4-5-16-9-13-8-15-16/h8-10,18H,4-7H2,1-3H3,(H,14,17).
What are the key properties of N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 254.33 g/mol, XLogP of 0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 66181091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).