1-(aminodiazenyl)but-2-enylideneazanium

C4H9N4+ — CID 149462081

IUPAC1-(aminodiazenyl)but-2-enylideneazanium
SMILESCC=CC(=[NH2+])/N=N/N
InChIInChI=1S/C4H8N4/c1-2-3-4(5)7-8-6/h2-3H,1H3,(H3,5,6,7)/p+1
InChIKeyYZSBLKLPOKLAME-UHFFFAOYSA-O
MW113.14 g/mol
LogP-0.95
Rot. Bonds1

About 1-(aminodiazenyl)but-2-enylideneazanium

1-(aminodiazenyl)but-2-enylideneazanium (PubChem CID 149462081) has the molecular formula C4H9N4+ and a molecular weight of 113.14 g/mol. Its IUPAC name is 1-(aminodiazenyl)but-2-enylideneazanium.

Molecular Properties

Compound Name1-(aminodiazenyl)but-2-enylideneazanium
PubChem CID149462081
Molecular FormulaC4H9N4+
Molecular Weight113.14 g/mol
Exact Mass113.08
IUPAC Name1-(aminodiazenyl)but-2-enylideneazanium
SMILESCC=CC(=[NH2+])/N=N/N
InChIInChI=1S/C4H8N4/c1-2-3-4(5)7-8-6/h2-3H,1H3,(H3,5,6,7)/p+1
InChIKeyYZSBLKLPOKLAME-UHFFFAOYSA-O
XLogP-0.95
TPSA76.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminodiazenyl)but-2-enylideneazanium?
The IUPAC name of 1-(aminodiazenyl)but-2-enylideneazanium (CID 149462081) is 1-(aminodiazenyl)but-2-enylideneazanium.
What is the SMILES notation for 1-(aminodiazenyl)but-2-enylideneazanium?
The canonical SMILES for 1-(aminodiazenyl)but-2-enylideneazanium is CC=CC(=[NH2+])/N=N/N.
What is the InChIKey of 1-(aminodiazenyl)but-2-enylideneazanium?
The InChIKey is YZSBLKLPOKLAME-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8N4/c1-2-3-4(5)7-8-6/h2-3H,1H3,(H3,5,6,7)/p+1.
What are the key properties of 1-(aminodiazenyl)but-2-enylideneazanium?
1-(aminodiazenyl)but-2-enylideneazanium has a molecular weight of 113.14 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)but-2-enylideneazanium is sourced from PubChem (CID 149462081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).