2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide

C11H21N5O — CID 66193662

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1cc(CNC)nn1
InChIInChI=1S/C11H21N5O/c1-5-11(2,3)13-10(17)8-16-7-9(6-12-4)14-15-16/h7,12H,5-6,8H2,1-4H3,(H,13,17)
InChIKeyACIAMAXPPKCTPP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.30
Rot. Bonds6

About 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 66193662) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID66193662
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)Cn1cc(CNC)nn1
InChIInChI=1S/C11H21N5O/c1-5-11(2,3)13-10(17)8-16-7-9(6-12-4)14-15-16/h7,12H,5-6,8H2,1-4H3,(H,13,17)
InChIKeyACIAMAXPPKCTPP-UHFFFAOYSA-N
XLogP0.30
TPSA71.84 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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047
2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 106228683
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[4-(methylaminomethyl)triazol-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 66194455
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-4-methylpentanoic acid
CID 115459751
N-[(2-chlorophenyl)methyl]-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214231
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 66213840
2-[4-(2-aminoethyl)triazol-1-yl]-N-tert-butylacetamide
CID 116642329
N-(5-fluoro-2-methylphenyl)-2-[4-(methylaminomethyl)triazol-1-yl]acetamide
CID 66214830
2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 66215249
2-[4-(methylaminomethyl)triazol-1-yl]-1-morpholin-4-ylethanone
CID 66215849

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 66193662) is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)Cn1cc(CNC)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is ACIAMAXPPKCTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-11(2,3)13-10(17)8-16-7-9(6-12-4)14-15-16/h7,12H,5-6,8H2,1-4H3,(H,13,17).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 66193662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).