3-(6-aminoindazol-1-yl)propanamide

C10H12N4O — CID 43646580

IUPAC3-(6-aminoindazol-1-yl)propanamide
SMILESNC(=O)CCn1ncc2ccc(N)cc21
InChIInChI=1S/C10H12N4O/c11-8-2-1-7-6-13-14(9(7)5-8)4-3-10(12)15/h1-2,5-6H,3-4,11H2,(H2,12,15)
InChIKeyFGDMFCRJJBEDJD-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.49
Rot. Bonds3

About 3-(6-aminoindazol-1-yl)propanamide

3-(6-aminoindazol-1-yl)propanamide (PubChem CID 43646580) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-(6-aminoindazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(6-aminoindazol-1-yl)propanamide
PubChem CID43646580
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name3-(6-aminoindazol-1-yl)propanamide
SMILESNC(=O)CCn1ncc2ccc(N)cc21
InChIInChI=1S/C10H12N4O/c11-8-2-1-7-6-13-14(9(7)5-8)4-3-10(12)15/h1-2,5-6H,3-4,11H2,(H2,12,15)
InChIKeyFGDMFCRJJBEDJD-UHFFFAOYSA-N
XLogP0.49
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-aminoindazol-1-yl)propanamide?
The IUPAC name of 3-(6-aminoindazol-1-yl)propanamide (CID 43646580) is 3-(6-aminoindazol-1-yl)propanamide.
What is the SMILES notation for 3-(6-aminoindazol-1-yl)propanamide?
The canonical SMILES for 3-(6-aminoindazol-1-yl)propanamide is NC(=O)CCn1ncc2ccc(N)cc21.
What is the InChIKey of 3-(6-aminoindazol-1-yl)propanamide?
The InChIKey is FGDMFCRJJBEDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-8-2-1-7-6-13-14(9(7)5-8)4-3-10(12)15/h1-2,5-6H,3-4,11H2,(H2,12,15).
What are the key properties of 3-(6-aminoindazol-1-yl)propanamide?
3-(6-aminoindazol-1-yl)propanamide has a molecular weight of 204.23 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminoindazol-1-yl)propanamide is sourced from PubChem (CID 43646580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).