2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide

C12H16N4O — CID 124684501

IUPAC2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C12H16N4O/c1-13-6-7-14-12(17)9-16-11-5-3-2-4-10(11)8-15-16/h2-5,8,13H,6-7,9H2,1H3,(H,14,17)
InChIKeySLJCMDKKYWJJRS-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.37
Rot. Bonds5

About 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide

2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide (PubChem CID 124684501) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
PubChem CID124684501
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide
SMILESCNCCNC(=O)Cn1ncc2ccccc21
InChIInChI=1S/C12H16N4O/c1-13-6-7-14-12(17)9-16-11-5-3-2-4-10(11)8-15-16/h2-5,8,13H,6-7,9H2,1H3,(H,14,17)
InChIKeySLJCMDKKYWJJRS-UHFFFAOYSA-N
XLogP0.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-indazol-1-ylacetyl)amino]pentanoic acid
CID 119234556
2-indazol-1-yl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]acetamide
CID 90652276
(2S)-2-[(2-indazol-1-ylacetyl)amino]propanoic acid
CID 119238085
N-(3,5-dimethylphenyl)-2-indazol-1-ylacetamide
CID 20885361
methyl (2S)-2-[[2-[(2-indazol-1-ylacetyl)amino]acetyl]amino]-3-methylbutanoate
CID 24800202
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-(3-indazol-1-ylpropyl)acetamide
CID 131914311
2-indazol-1-yl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215204
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-indazol-1-ylacetamide
CID 111441933
N-(5-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141660
N-[[(1R,2S)-2-hydroxy-1-methylcyclohexyl]methyl]-2-indazol-1-ylacetamide
CID 99775313
5-[(2-indazol-1-ylacetyl)amino]-2-methylbenzoic acid
CID 75469207
2-indazol-1-yl-N-(4-methylsulfinylphenyl)acetamide
CID 71994539

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide?
The IUPAC name of 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide (CID 124684501) is 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide.
What is the SMILES notation for 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide?
The canonical SMILES for 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide is CNCCNC(=O)Cn1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide?
The InChIKey is SLJCMDKKYWJJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-13-6-7-14-12(17)9-16-11-5-3-2-4-10(11)8-15-16/h2-5,8,13H,6-7,9H2,1H3,(H,14,17).
What are the key properties of 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide?
2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide has a molecular weight of 232.29 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-N-[2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 124684501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).