piperazin-1-ylmethylidenecyanamide

C6H10N4 — CID 58852092

IUPACpiperazin-1-ylmethylidenecyanamide
SMILESN#C/N=C/N1CCNCC1
InChIInChI=1S/C6H10N4/c7-5-9-6-10-3-1-8-2-4-10/h6,8H,1-4H2/b9-6+
InChIKeyLTSFDOCFOVMOIZ-RMKNXTFCSA-N
MW138.17 g/mol
LogP-0.60
Rot. Bonds1

About piperazin-1-ylmethylidenecyanamide

piperazin-1-ylmethylidenecyanamide (PubChem CID 58852092) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is piperazin-1-ylmethylidenecyanamide.

Molecular Properties

Compound Namepiperazin-1-ylmethylidenecyanamide
PubChem CID58852092
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Namepiperazin-1-ylmethylidenecyanamide
SMILESN#C/N=C/N1CCNCC1
InChIInChI=1S/C6H10N4/c7-5-9-6-10-3-1-8-2-4-10/h6,8H,1-4H2/b9-6+
InChIKeyLTSFDOCFOVMOIZ-RMKNXTFCSA-N
XLogP-0.60
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.60
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 piperazin-1-ylmethylidenecyanamide?
The IUPAC name of piperazin-1-ylmethylidenecyanamide (CID 58852092) is piperazin-1-ylmethylidenecyanamide.
What is the SMILES notation for piperazin-1-ylmethylidenecyanamide?
The canonical SMILES for piperazin-1-ylmethylidenecyanamide is N#C/N=C/N1CCNCC1.
What is the InChIKey of piperazin-1-ylmethylidenecyanamide?
The InChIKey is LTSFDOCFOVMOIZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C6H10N4/c7-5-9-6-10-3-1-8-2-4-10/h6,8H,1-4H2/b9-6+.
What are the key properties of piperazin-1-ylmethylidenecyanamide?
piperazin-1-ylmethylidenecyanamide has a molecular weight of 138.17 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-ylmethylidenecyanamide is sourced from PubChem (CID 58852092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).