N'-cyanopiperazine-1-carboximidamide

C6H11N5 — CID 88884606

IUPACN'-cyanopiperazine-1-carboximidamide
SMILESN#C/N=C(\N)N1CCNCC1
InChIInChI=1S/C6H11N5/c7-5-10-6(8)11-3-1-9-2-4-11/h9H,1-4H2,(H2,8,10)
InChIKeyJPRWIHNROSQETJ-UHFFFAOYSA-N
MW153.19 g/mol
LogP-1.31
Rot. Bonds

About N'-cyanopiperazine-1-carboximidamide

N'-cyanopiperazine-1-carboximidamide (PubChem CID 88884606) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is N'-cyanopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyanopiperazine-1-carboximidamide
PubChem CID88884606
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC NameN'-cyanopiperazine-1-carboximidamide
SMILESN#C/N=C(\N)N1CCNCC1
InChIInChI=1S/C6H11N5/c7-5-10-6(8)11-3-1-9-2-4-11/h9H,1-4H2,(H2,8,10)
InChIKeyJPRWIHNROSQETJ-UHFFFAOYSA-N
XLogP-1.31
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
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'-cyanopiperazine-1-carboximidamide?
The IUPAC name of N'-cyanopiperazine-1-carboximidamide (CID 88884606) is N'-cyanopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyanopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyanopiperazine-1-carboximidamide is N#C/N=C(\N)N1CCNCC1.
What is the InChIKey of N'-cyanopiperazine-1-carboximidamide?
The InChIKey is JPRWIHNROSQETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c7-5-10-6(8)11-3-1-9-2-4-11/h9H,1-4H2,(H2,8,10).
What are the key properties of N'-cyanopiperazine-1-carboximidamide?
N'-cyanopiperazine-1-carboximidamide has a molecular weight of 153.19 g/mol, XLogP of -1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyanopiperazine-1-carboximidamide is sourced from PubChem (CID 88884606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).