N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride

C6H17Cl3N6 — CID 156592573

IUPACN'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride
SMILESCl.Cl.Cl.[H]/N=C(N)/N=C(\N)N1CCNCC1
InChIInChI=1S/C6H14N6.3ClH/c7-5(8)11-6(9)12-3-1-10-2-4-12;;;/h10H,1-4H2,(H5,7,8,9,11);3*1H
InChIKeyGKWFWTUOSWZEPE-UHFFFAOYSA-N
MW279.60 g/mol
LogP-0.63
Rot. Bonds

About N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride

N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride (PubChem CID 156592573) has the molecular formula C6H17Cl3N6 and a molecular weight of 279.60 g/mol. Its IUPAC name is N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride.

Molecular Properties

Compound NameN'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride
PubChem CID156592573
Molecular FormulaC6H17Cl3N6
Molecular Weight279.60 g/mol
Exact Mass278.06
IUPAC NameN'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride
SMILESCl.Cl.Cl.[H]/N=C(N)/N=C(\N)N1CCNCC1
InChIInChI=1S/C6H14N6.3ClH/c7-5(8)11-6(9)12-3-1-10-2-4-12;;;/h10H,1-4H2,(H5,7,8,9,11);3*1H
InChIKeyGKWFWTUOSWZEPE-UHFFFAOYSA-N
XLogP-0.63
TPSA103.52 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.60
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
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 N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride?
The IUPAC name of N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride (CID 156592573) is N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride.
What is the SMILES notation for N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride?
The canonical SMILES for N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride is Cl.Cl.Cl.[H]/N=C(N)/N=C(\N)N1CCNCC1.
What is the InChIKey of N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride?
The InChIKey is GKWFWTUOSWZEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N6.3ClH/c7-5(8)11-6(9)12-3-1-10-2-4-12;;;/h10H,1-4H2,(H5,7,8,9,11);3*1H.
What are the key properties of N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride?
N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride has a molecular weight of 279.60 g/mol, XLogP of -0.63, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride is sourced from PubChem (CID 156592573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).