N'-isocyanopiperazine-1-carboximidamide

C6H11N5 — CID 20631486

IUPACN'-isocyanopiperazine-1-carboximidamide
SMILES[C-]#[N+]/N=C(\N)N1CCNCC1
InChIInChI=1S/C6H11N5/c1-8-10-6(7)11-4-2-9-3-5-11/h9H,2-5H2,(H2,7,10)
InChIKeyHGSAPYWGXCQTOW-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.96
Rot. Bonds

About N'-isocyanopiperazine-1-carboximidamide

N'-isocyanopiperazine-1-carboximidamide (PubChem CID 20631486) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is N'-isocyanopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-isocyanopiperazine-1-carboximidamide
PubChem CID20631486
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC NameN'-isocyanopiperazine-1-carboximidamide
SMILES[C-]#[N+]/N=C(\N)N1CCNCC1
InChIInChI=1S/C6H11N5/c1-8-10-6(7)11-4-2-9-3-5-11/h9H,2-5H2,(H2,7,10)
InChIKeyHGSAPYWGXCQTOW-UHFFFAOYSA-N
XLogP-0.96
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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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Frequently Asked Questions

What is the IUPAC name of N'-isocyanopiperazine-1-carboximidamide?
The IUPAC name of N'-isocyanopiperazine-1-carboximidamide (CID 20631486) is N'-isocyanopiperazine-1-carboximidamide.
What is the SMILES notation for N'-isocyanopiperazine-1-carboximidamide?
The canonical SMILES for N'-isocyanopiperazine-1-carboximidamide is [C-]#[N+]/N=C(\N)N1CCNCC1.
What is the InChIKey of N'-isocyanopiperazine-1-carboximidamide?
The InChIKey is HGSAPYWGXCQTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5/c1-8-10-6(7)11-4-2-9-3-5-11/h9H,2-5H2,(H2,7,10).
What are the key properties of N'-isocyanopiperazine-1-carboximidamide?
N'-isocyanopiperazine-1-carboximidamide has a molecular weight of 153.19 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-isocyanopiperazine-1-carboximidamide is sourced from PubChem (CID 20631486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).