cyanamide;piperazine

C5H12N4 — CID 87191192

IUPACcyanamide;piperazine
SMILESC1CNCCN1.N#CN
InChIInChI=1S/C4H10N2.CH2N2/c1-2-6-4-3-5-1;2-1-3/h5-6H,1-4H2;2H2
InChIKeyZSHNONJDVXTLLX-UHFFFAOYSA-N
MW128.18 g/mol
LogP-1.39
Rot. Bonds

About cyanamide;piperazine

cyanamide;piperazine (PubChem CID 87191192) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is cyanamide;piperazine.

Molecular Properties

Compound Namecyanamide;piperazine
PubChem CID87191192
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Namecyanamide;piperazine
SMILESC1CNCCN1.N#CN
InChIInChI=1S/C4H10N2.CH2N2/c1-2-6-4-3-5-1;2-1-3/h5-6H,1-4H2;2H2
InChIKeyZSHNONJDVXTLLX-UHFFFAOYSA-N
XLogP-1.39
TPSA73.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyanamide;piperazine?
The IUPAC name of cyanamide;piperazine (CID 87191192) is cyanamide;piperazine.
What is the SMILES notation for cyanamide;piperazine?
The canonical SMILES for cyanamide;piperazine is C1CNCCN1.N#CN.
What is the InChIKey of cyanamide;piperazine?
The InChIKey is ZSHNONJDVXTLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.CH2N2/c1-2-6-4-3-5-1;2-1-3/h5-6H,1-4H2;2H2.
What are the key properties of cyanamide;piperazine?
cyanamide;piperazine has a molecular weight of 128.18 g/mol, XLogP of -1.39, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;piperazine is sourced from PubChem (CID 87191192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).