diazinan-1-ium

C4H11N2+ — CID 101150012

IUPACdiazinan-1-ium
SMILESC1CC[NH2+]NC1
InChIInChI=1S/C4H10N2/c1-2-4-6-5-3-1/h5-6H,1-4H2/p+1
InChIKeyHTFFABIIOAKIBH-UHFFFAOYSA-O
MW87.15 g/mol
LogP-1.15
Rot. Bonds

About diazinan-1-ium

diazinan-1-ium (PubChem CID 101150012) has the molecular formula C4H11N2+ and a molecular weight of 87.15 g/mol. Its IUPAC name is diazinan-1-ium.

Molecular Properties

Compound Namediazinan-1-ium
PubChem CID101150012
Molecular FormulaC4H11N2+
Molecular Weight87.15 g/mol
Exact Mass87.09
IUPAC Namediazinan-1-ium
SMILESC1CC[NH2+]NC1
InChIInChI=1S/C4H10N2/c1-2-4-6-5-3-1/h5-6H,1-4H2/p+1
InChIKeyHTFFABIIOAKIBH-UHFFFAOYSA-O
XLogP-1.15
TPSA28.64 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.15
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diazinan-1-ium?
The IUPAC name of diazinan-1-ium (CID 101150012) is diazinan-1-ium.
What is the SMILES notation for diazinan-1-ium?
The canonical SMILES for diazinan-1-ium is C1CC[NH2+]NC1.
What is the InChIKey of diazinan-1-ium?
The InChIKey is HTFFABIIOAKIBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H10N2/c1-2-4-6-5-3-1/h5-6H,1-4H2/p+1.
What are the key properties of diazinan-1-ium?
diazinan-1-ium has a molecular weight of 87.15 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diazinan-1-ium is sourced from PubChem (CID 101150012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).