N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride

C6H16Cl3N5 — CID 140985856

IUPACN'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride
SMILESCl.Cl.Cl.NN=C/N=C/N1CCNCC1
InChIInChI=1S/C6H13N5.3ClH/c7-10-5-9-6-11-3-1-8-2-4-11;;;/h5-6,8H,1-4,7H2;3*1H/b9-6+,10-5?;;;
InChIKeyRSONEZUCSMZTCM-ZCKRZXGLSA-N
MW264.59 g/mol
LogP0.09
Rot. Bonds2

About N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride

N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride (PubChem CID 140985856) has the molecular formula C6H16Cl3N5 and a molecular weight of 264.59 g/mol. Its IUPAC name is N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride.

Molecular Properties

Compound NameN'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride
PubChem CID140985856
Molecular FormulaC6H16Cl3N5
Molecular Weight264.59 g/mol
Exact Mass263.05
IUPAC NameN'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride
SMILESCl.Cl.Cl.NN=C/N=C/N1CCNCC1
InChIInChI=1S/C6H13N5.3ClH/c7-10-5-9-6-11-3-1-8-2-4-11;;;/h5-6,8H,1-4,7H2;3*1H/b9-6+,10-5?;;;
InChIKeyRSONEZUCSMZTCM-ZCKRZXGLSA-N
XLogP0.09
TPSA66.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Hydrazinoiminomethyl)piperazine
CID 54189776
N-methyl-1-piperazin-1-ylmethanimine;hydrochloride
CID 67842462
N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide
CID 140985852
1-[2-(4,5-Dihydroimidazol-1-yl)ethyl]piperazine
CID 141043015
N'-(2-piperazin-1-ylethyl)methanimidamide
CID 142168666
1-[(Aminohydrazinylidene)methyl]piperazine;dihydrochloride
CID 162325774
4,5-dihydro-1H-imidazole;piperazine
CID 19437486
Piperazin-1-ylmethylidenecyanamide
CID 58852092
2-(Piperazine-1-carboximidoyl)guanidine trihydrochloride
CID 71757024
N-Carbamimidoylpiperazine-1-carboximidamide dihydrochloride
CID 129893518
N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride
CID 156592573
N'-carbamimidoylpiperazine-1-carboximidamide;trihydrochloride
CID 167312490

Frequently Asked Questions

What is the IUPAC name of N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride?
The IUPAC name of N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride (CID 140985856) is N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride.
What is the SMILES notation for N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride?
The canonical SMILES for N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride is Cl.Cl.Cl.NN=C/N=C/N1CCNCC1.
What is the InChIKey of N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride?
The InChIKey is RSONEZUCSMZTCM-ZCKRZXGLSA-N. The full InChI is InChI=1S/C6H13N5.3ClH/c7-10-5-9-6-11-3-1-8-2-4-11;;;/h5-6,8H,1-4,7H2;3*1H/b9-6+,10-5?;;;.
What are the key properties of N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride?
N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride has a molecular weight of 264.59 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-(piperazin-1-ylmethylidene)methanimidamide;trihydrochloride is sourced from PubChem (CID 140985856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).