N'-(3H-diazirin-3-yl)butanimidamide

C5H10N4 — CID 141322403

IUPACN'-(3H-diazirin-3-yl)butanimidamide
SMILESCCC/C(N)=N/C1N=N1
InChIInChI=1S/C5H10N4/c1-2-3-4(6)7-5-8-9-5/h5H,2-3H2,1H3,(H2,6,7)
InChIKeyDOEUHTQLXMUJLN-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.89
Rot. Bonds3

About N'-(3H-diazirin-3-yl)butanimidamide

N'-(3H-diazirin-3-yl)butanimidamide (PubChem CID 141322403) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is N'-(3H-diazirin-3-yl)butanimidamide.

Molecular Properties

Compound NameN'-(3H-diazirin-3-yl)butanimidamide
PubChem CID141322403
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC NameN'-(3H-diazirin-3-yl)butanimidamide
SMILESCCC/C(N)=N/C1N=N1
InChIInChI=1S/C5H10N4/c1-2-3-4(6)7-5-8-9-5/h5H,2-3H2,1H3,(H2,6,7)
InChIKeyDOEUHTQLXMUJLN-UHFFFAOYSA-N
XLogP0.89
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 N'-(3H-diazirin-3-yl)butanimidamide?
The IUPAC name of N'-(3H-diazirin-3-yl)butanimidamide (CID 141322403) is N'-(3H-diazirin-3-yl)butanimidamide.
What is the SMILES notation for N'-(3H-diazirin-3-yl)butanimidamide?
The canonical SMILES for N'-(3H-diazirin-3-yl)butanimidamide is CCC/C(N)=N/C1N=N1.
What is the InChIKey of N'-(3H-diazirin-3-yl)butanimidamide?
The InChIKey is DOEUHTQLXMUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-3-4(6)7-5-8-9-5/h5H,2-3H2,1H3,(H2,6,7).
What are the key properties of N'-(3H-diazirin-3-yl)butanimidamide?
N'-(3H-diazirin-3-yl)butanimidamide has a molecular weight of 126.16 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3H-diazirin-3-yl)butanimidamide is sourced from PubChem (CID 141322403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).