piperazine-1-carboximidamide

C5H12N4 — CID 2760424

IUPACpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCNCC1
InChIInChI=1S/C5H12N4/c6-5(7)9-3-1-8-2-4-9/h8H,1-4H2,(H3,6,7)
InChIKeyZTWBXCGKRKUYSY-UHFFFAOYSA-N
MW128.18 g/mol
LogP-1.21
Rot. Bonds

About piperazine-1-carboximidamide

piperazine-1-carboximidamide (PubChem CID 2760424) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is piperazine-1-carboximidamide.

Molecular Properties

Compound Namepiperazine-1-carboximidamide
PubChem CID2760424
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Namepiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCNCC1
InChIInChI=1S/C5H12N4/c6-5(7)9-3-1-8-2-4-9/h8H,1-4H2,(H3,6,7)
InChIKeyZTWBXCGKRKUYSY-UHFFFAOYSA-N
XLogP-1.21
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 piperazine-1-carboximidamide?
The IUPAC name of piperazine-1-carboximidamide (CID 2760424) is piperazine-1-carboximidamide.
What is the SMILES notation for piperazine-1-carboximidamide?
The canonical SMILES for piperazine-1-carboximidamide is [H]/N=C(\N)N1CCNCC1.
What is the InChIKey of piperazine-1-carboximidamide?
The InChIKey is ZTWBXCGKRKUYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c6-5(7)9-3-1-8-2-4-9/h8H,1-4H2,(H3,6,7).
What are the key properties of piperazine-1-carboximidamide?
piperazine-1-carboximidamide has a molecular weight of 128.18 g/mol, XLogP of -1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carboximidamide is sourced from PubChem (CID 2760424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).