2-(4-amino-6-methylindazol-1-yl)acetaldehyde

C10H11N3O — CID 87669616

IUPAC2-(4-amino-6-methylindazol-1-yl)acetaldehyde
SMILESCc1cc(N)c2cnn(CC=O)c2c1
InChIInChI=1S/C10H11N3O/c1-7-4-9(11)8-6-12-13(2-3-14)10(8)5-7/h3-6H,2,11H2,1H3
InChIKeyAXFCUZIPLOWBCS-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.13
Rot. Bonds2

About 2-(4-amino-6-methylindazol-1-yl)acetaldehyde

2-(4-amino-6-methylindazol-1-yl)acetaldehyde (PubChem CID 87669616) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(4-amino-6-methylindazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-amino-6-methylindazol-1-yl)acetaldehyde
PubChem CID87669616
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(4-amino-6-methylindazol-1-yl)acetaldehyde
SMILESCc1cc(N)c2cnn(CC=O)c2c1
InChIInChI=1S/C10H11N3O/c1-7-4-9(11)8-6-12-13(2-3-14)10(8)5-7/h3-6H,2,11H2,1H3
InChIKeyAXFCUZIPLOWBCS-UHFFFAOYSA-N
XLogP1.13
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylindazol-1-yl)acetaldehyde?
The IUPAC name of 2-(4-amino-6-methylindazol-1-yl)acetaldehyde (CID 87669616) is 2-(4-amino-6-methylindazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4-amino-6-methylindazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(4-amino-6-methylindazol-1-yl)acetaldehyde is Cc1cc(N)c2cnn(CC=O)c2c1.
What is the InChIKey of 2-(4-amino-6-methylindazol-1-yl)acetaldehyde?
The InChIKey is AXFCUZIPLOWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-4-9(11)8-6-12-13(2-3-14)10(8)5-7/h3-6H,2,11H2,1H3.
What are the key properties of 2-(4-amino-6-methylindazol-1-yl)acetaldehyde?
2-(4-amino-6-methylindazol-1-yl)acetaldehyde has a molecular weight of 189.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylindazol-1-yl)acetaldehyde is sourced from PubChem (CID 87669616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).