4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide

C7H17BrN4 — CID 21417161

IUPAC4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide
SMILESBr.NN/C1=N/CCCCCCN1
InChIInChI=1S/C7H16N4.BrH/c8-11-7-9-5-3-1-2-4-6-10-7;/h1-6,8H2,(H2,9,10,11);1H
InChIKeySRSUOGBAUMAUME-UHFFFAOYSA-N
MW237.14 g/mol
LogP0.55
Rot. Bonds

About 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide

4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide (PubChem CID 21417161) has the molecular formula C7H17BrN4 and a molecular weight of 237.14 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide.

Molecular Properties

Compound Name4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide
PubChem CID21417161
Molecular FormulaC7H17BrN4
Molecular Weight237.14 g/mol
Exact Mass236.06
IUPAC Name4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide
SMILESBr.NN/C1=N/CCCCCCN1
InChIInChI=1S/C7H16N4.BrH/c8-11-7-9-5-3-1-2-4-6-10-7;/h1-6,8H2,(H2,9,10,11);1H
InChIKeySRSUOGBAUMAUME-UHFFFAOYSA-N
XLogP0.55
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide?
The IUPAC name of 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide (CID 21417161) is 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide.
What is the SMILES notation for 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide?
The canonical SMILES for 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide is Br.NN/C1=N/CCCCCCN1.
What is the InChIKey of 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide?
The InChIKey is SRSUOGBAUMAUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4.BrH/c8-11-7-9-5-3-1-2-4-6-10-7;/h1-6,8H2,(H2,9,10,11);1H.
What are the key properties of 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide?
4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide has a molecular weight of 237.14 g/mol, XLogP of 0.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexahydro-1H-1,3-diazonin-2-ylhydrazine;hydrobromide is sourced from PubChem (CID 21417161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).