2-(5-aminoindazol-1-yl)-N-methylacetamide

C10H12N4O — CID 89156128

IUPAC2-(5-aminoindazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ncc2cc(N)ccc21
InChIInChI=1S/C10H12N4O/c1-12-10(15)6-14-9-3-2-8(11)4-7(9)5-13-14/h2-5H,6,11H2,1H3,(H,12,15)
InChIKeyPMSRSGMGEQLRDW-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.36
Rot. Bonds2

About 2-(5-aminoindazol-1-yl)-N-methylacetamide

2-(5-aminoindazol-1-yl)-N-methylacetamide (PubChem CID 89156128) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(5-aminoindazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(5-aminoindazol-1-yl)-N-methylacetamide
PubChem CID89156128
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(5-aminoindazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1ncc2cc(N)ccc21
InChIInChI=1S/C10H12N4O/c1-12-10(15)6-14-9-3-2-8(11)4-7(9)5-13-14/h2-5H,6,11H2,1H3,(H,12,15)
InChIKeyPMSRSGMGEQLRDW-UHFFFAOYSA-N
XLogP0.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(5-aminoindazol-1-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminoindazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(5-aminoindazol-1-yl)-N-methylacetamide (CID 89156128) is 2-(5-aminoindazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(5-aminoindazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(5-aminoindazol-1-yl)-N-methylacetamide is CNC(=O)Cn1ncc2cc(N)ccc21.
What is the InChIKey of 2-(5-aminoindazol-1-yl)-N-methylacetamide?
The InChIKey is PMSRSGMGEQLRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-12-10(15)6-14-9-3-2-8(11)4-7(9)5-13-14/h2-5H,6,11H2,1H3,(H,12,15).
What are the key properties of 2-(5-aminoindazol-1-yl)-N-methylacetamide?
2-(5-aminoindazol-1-yl)-N-methylacetamide has a molecular weight of 204.23 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminoindazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 89156128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).