4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline

C16H16N4 — CID 6900072

IUPAC4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/n2ncc3ccccc32)cc1
InChIInChI=1S/C16H16N4/c1-19(2)15-9-7-13(8-10-15)11-17-20-16-6-4-3-5-14(16)12-18-20/h3-12H,1-2H3/b17-11+
InChIKeyUNZHITZXBPGMBR-GZTJUZNOSA-N
MW264.33 g/mol
LogP2.98
Rot. Bonds3

About 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline

4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline (PubChem CID 6900072) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline
PubChem CID6900072
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/C=N/n2ncc3ccccc32)cc1
InChIInChI=1S/C16H16N4/c1-19(2)15-9-7-13(8-10-15)11-17-20-16-6-4-3-5-14(16)12-18-20/h3-12H,1-2H3/b17-11+
InChIKeyUNZHITZXBPGMBR-GZTJUZNOSA-N
XLogP2.98
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline (CID 6900072) is 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline is CN(C)c1ccc(/C=N/n2ncc3ccccc32)cc1.
What is the InChIKey of 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline?
The InChIKey is UNZHITZXBPGMBR-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N4/c1-19(2)15-9-7-13(8-10-15)11-17-20-16-6-4-3-5-14(16)12-18-20/h3-12H,1-2H3/b17-11+.
What are the key properties of 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline?
4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline has a molecular weight of 264.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-indazol-1-yliminomethyl]-N,N-dimethylaniline is sourced from PubChem (CID 6900072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).