1-piperazin-1-ylethylidenecyanamide

C7H12N4 — CID 59690670

IUPAC1-piperazin-1-ylethylidenecyanamide
SMILESC/C(=N\C#N)N1CCNCC1
InChIInChI=1S/C7H12N4/c1-7(10-6-8)11-4-2-9-3-5-11/h9H,2-5H2,1H3/b10-7+
InChIKeyBKSGCJXKLKSHNY-JXMROGBWSA-N
MW152.20 g/mol
LogP-0.21
Rot. Bonds

About 1-piperazin-1-ylethylidenecyanamide

1-piperazin-1-ylethylidenecyanamide (PubChem CID 59690670) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-piperazin-1-ylethylidenecyanamide.

Molecular Properties

Compound Name1-piperazin-1-ylethylidenecyanamide
PubChem CID59690670
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name1-piperazin-1-ylethylidenecyanamide
SMILESC/C(=N\C#N)N1CCNCC1
InChIInChI=1S/C7H12N4/c1-7(10-6-8)11-4-2-9-3-5-11/h9H,2-5H2,1H3/b10-7+
InChIKeyBKSGCJXKLKSHNY-JXMROGBWSA-N
XLogP-0.21
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', '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-piperazin-1-ylethylidenecyanamide?
The IUPAC name of 1-piperazin-1-ylethylidenecyanamide (CID 59690670) is 1-piperazin-1-ylethylidenecyanamide.
What is the SMILES notation for 1-piperazin-1-ylethylidenecyanamide?
The canonical SMILES for 1-piperazin-1-ylethylidenecyanamide is C/C(=N\C#N)N1CCNCC1.
What is the InChIKey of 1-piperazin-1-ylethylidenecyanamide?
The InChIKey is BKSGCJXKLKSHNY-JXMROGBWSA-N. The full InChI is InChI=1S/C7H12N4/c1-7(10-6-8)11-4-2-9-3-5-11/h9H,2-5H2,1H3/b10-7+.
What are the key properties of 1-piperazin-1-ylethylidenecyanamide?
1-piperazin-1-ylethylidenecyanamide has a molecular weight of 152.20 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylethylidenecyanamide is sourced from PubChem (CID 59690670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).