N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide

C11H21N5O — CID 81487195

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cn1cncn1
InChIInChI=1S/C11H21N5O/c1-9(2)4-11(3,6-12)15-10(17)5-16-8-13-7-14-16/h7-9H,4-6,12H2,1-3H3,(H,15,17)
InChIKeySELMCWQSVVXURD-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.16
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 81487195) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID81487195
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)CC(C)(CN)NC(=O)Cn1cncn1
InChIInChI=1S/C11H21N5O/c1-9(2)4-11(3,6-12)15-10(17)5-16-8-13-7-14-16/h7-9H,4-6,12H2,1-3H3,(H,15,17)
InChIKeySELMCWQSVVXURD-UHFFFAOYSA-N
XLogP0.16
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 119599318
N-(1-amino-2,4-dimethylpentan-2-yl)-3-imidazol-1-ylpropanamide;dihydrochloride
CID 119597830
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 119597627
2-[2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 119599764
2-phenyl-2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid
CID 62488531
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 81486507
2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanediamide
CID 136576473
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(diethylsulfamoyl)acetamide;hydrochloride
CID 119600368
N-(2-hydroxy-2,4-dimethylpentyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 66181091
N-(1-methylcyclopropyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 130626359
N-(2-aminobutyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 63730542
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 81487195) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is CC(C)CC(C)(CN)NC(=O)Cn1cncn1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is SELMCWQSVVXURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9(2)4-11(3,6-12)15-10(17)5-16-8-13-7-14-16/h7-9H,4-6,12H2,1-3H3,(H,15,17).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 81487195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).