2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide

C11H21N5O — CID 66192119

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cc(CNC)nn1
InChIInChI=1S/C11H21N5O/c1-4-5-9(2)13-11(17)8-16-7-10(6-12-3)14-15-16/h7,9,12H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyRLKQJNUGEKFIEY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.30
Rot. Bonds7

About 2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide

2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide (PubChem CID 66192119) 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-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
PubChem CID66192119
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)Cn1cc(CNC)nn1
InChIInChI=1S/C11H21N5O/c1-4-5-9(2)13-11(17)8-16-7-10(6-12-3)14-15-16/h7,9,12H,4-6,8H2,1-3H3,(H,13,17)
InChIKeyRLKQJNUGEKFIEY-UHFFFAOYSA-N
XLogP0.30
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-(6-methylheptan-2-yl)acetamide
CID 66194455
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 66214238
2-[4-(methylaminomethyl)triazol-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 66215249
2-[4-(methylaminomethyl)triazol-1-yl]-N-(propylcarbamoyl)acetamide
CID 66215047
2-[1-[2-(butan-2-ylamino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461255
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 66193662
2-[4-(diethoxymethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66216759
N-(1-methoxypropan-2-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194550
2-[4-(4-aminobutyl)triazol-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 106209480
N-methyl-N-[2-[4-(methylaminomethyl)triazol-1-yl]ethyl]pentan-2-amine
CID 62433817
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 66194493
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide
CID 113314205

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide (CID 66192119) is 2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)Cn1cc(CNC)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide?
The InChIKey is RLKQJNUGEKFIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-5-9(2)13-11(17)8-16-7-10(6-12-3)14-15-16/h7,9,12H,4-6,8H2,1-3H3,(H,13,17).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide?
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.30, 7 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-pentan-2-ylacetamide is sourced from PubChem (CID 66192119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).