N'-cyano-4-methylpiperazine-1-carboximidamide

C7H13N5 — CID 21492869

IUPACN'-cyano-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/C#N)CC1
InChIInChI=1S/C7H13N5/c1-11-2-4-12(5-3-11)7(9)10-6-8/h2-5H2,1H3,(H2,9,10)
InChIKeyNUOXTUVJMWWBOZ-UHFFFAOYSA-N
MW167.22 g/mol
LogP-0.97
Rot. Bonds

About N'-cyano-4-methylpiperazine-1-carboximidamide

N'-cyano-4-methylpiperazine-1-carboximidamide (PubChem CID 21492869) has the molecular formula C7H13N5 and a molecular weight of 167.22 g/mol. Its IUPAC name is N'-cyano-4-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyano-4-methylpiperazine-1-carboximidamide
PubChem CID21492869
Molecular FormulaC7H13N5
Molecular Weight167.22 g/mol
Exact Mass167.12
IUPAC NameN'-cyano-4-methylpiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/C#N)CC1
InChIInChI=1S/C7H13N5/c1-11-2-4-12(5-3-11)7(9)10-6-8/h2-5H2,1H3,(H2,9,10)
InChIKeyNUOXTUVJMWWBOZ-UHFFFAOYSA-N
XLogP-0.97
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 5-0.97
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 N'-cyano-4-methylpiperazine-1-carboximidamide?
The IUPAC name of N'-cyano-4-methylpiperazine-1-carboximidamide (CID 21492869) is N'-cyano-4-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyano-4-methylpiperazine-1-carboximidamide?
The canonical SMILES for N'-cyano-4-methylpiperazine-1-carboximidamide is CN1CCN(/C(N)=N/C#N)CC1.
What is the InChIKey of N'-cyano-4-methylpiperazine-1-carboximidamide?
The InChIKey is NUOXTUVJMWWBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5/c1-11-2-4-12(5-3-11)7(9)10-6-8/h2-5H2,1H3,(H2,9,10).
What are the key properties of N'-cyano-4-methylpiperazine-1-carboximidamide?
N'-cyano-4-methylpiperazine-1-carboximidamide has a molecular weight of 167.22 g/mol, XLogP of -0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-4-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 21492869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).