3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole

C13H18N6 — CID 118146319

IUPAC3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole
SMILESN/N=N/CC1CN(c2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C13H18N6/c14-18-17-7-10-9-19(6-5-15-10)13-8-16-12-4-2-1-3-11(12)13/h1-4,8,10,15-16H,5-7,9H2,(H2,14,17)
InChIKeyFXEUHHSBHZYIRD-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.27
Rot. Bonds3

About 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole

3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole (PubChem CID 118146319) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole
PubChem CID118146319
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole
SMILESN/N=N/CC1CN(c2c[nH]c3ccccc23)CCN1
InChIInChI=1S/C13H18N6/c14-18-17-7-10-9-19(6-5-15-10)13-8-16-12-4-2-1-3-11(12)13/h1-4,8,10,15-16H,5-7,9H2,(H2,14,17)
InChIKeyFXEUHHSBHZYIRD-UHFFFAOYSA-N
XLogP1.27
TPSA81.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole?
The IUPAC name of 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole (CID 118146319) is 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole.
What is the SMILES notation for 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole?
The canonical SMILES for 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole is N/N=N/CC1CN(c2c[nH]c3ccccc23)CCN1.
What is the InChIKey of 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole?
The InChIKey is FXEUHHSBHZYIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c14-18-17-7-10-9-19(6-5-15-10)13-8-16-12-4-2-1-3-11(12)13/h1-4,8,10,15-16H,5-7,9H2,(H2,14,17).
What are the key properties of 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole?
3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole has a molecular weight of 258.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(aminodiazenyl)methyl]piperazin-1-yl]-1H-indole is sourced from PubChem (CID 118146319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).