2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide

C11H22N6O — CID 54953710

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide
SMILESCC(C)C(CN(C)C)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H22N6O/c1-8(2)9(5-16(3)4)14-10(18)6-17-7-13-11(12)15-17/h7-9H,5-6H2,1-4H3,(H2,12,15)(H,14,18)
InChIKeyIJIWGOIHECZJFY-UHFFFAOYSA-N
MW254.34 g/mol
LogP-0.44
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide (PubChem CID 54953710) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide
PubChem CID54953710
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide
SMILESCC(C)C(CN(C)C)NC(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H22N6O/c1-8(2)9(5-16(3)4)14-10(18)6-17-7-13-11(12)15-17/h7-9H,5-6H2,1-4H3,(H2,12,15)(H,14,18)
InChIKeyIJIWGOIHECZJFY-UHFFFAOYSA-N
XLogP-0.44
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248179
methyl 2-[[2-(3-amino-1,2,4-triazol-1-yl)acetyl]amino]-3-methylbutanoate
CID 54901524
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64629370
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61242021
2-(5-amino-2-oxo-1-pyridinyl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide
CID 62815490
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-cyclohexylethyl)acetamide
CID 62403216
2-(4-aminopiperidin-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide
CID 79328478
2-(3-amino-1,2,4-triazol-1-yl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83107218
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 66195635
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]acetamide
CID 61102795
2-(3-amino-1,2,4-triazol-1-yl)-N-(1-methylcyclopentyl)acetamide
CID 61364956
2-[3-(aminomethyl)-1,2,4-triazol-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 62950155

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide (CID 54953710) is 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide is CC(C)C(CN(C)C)NC(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide?
The InChIKey is IJIWGOIHECZJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-8(2)9(5-16(3)4)14-10(18)6-17-7-13-11(12)15-17/h7-9H,5-6H2,1-4H3,(H2,12,15)(H,14,18).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide has a molecular weight of 254.34 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-[1-(dimethylamino)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 54953710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).