N'-amino-N-hydroxypiperazine-1-carboximidamide

C5H13N5O — CID 123146722

IUPACN'-amino-N-hydroxypiperazine-1-carboximidamide
SMILESN/N=C(/NO)N1CCNCC1
InChIInChI=1S/C5H13N5O/c6-8-5(9-11)10-3-1-7-2-4-10/h7,11H,1-4,6H2,(H,8,9)
InChIKeyXVQVHFOOEQRNAL-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.90
Rot. Bonds

About N'-amino-N-hydroxypiperazine-1-carboximidamide

N'-amino-N-hydroxypiperazine-1-carboximidamide (PubChem CID 123146722) has the molecular formula C5H13N5O and a molecular weight of 159.19 g/mol. Its IUPAC name is N'-amino-N-hydroxypiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-amino-N-hydroxypiperazine-1-carboximidamide
PubChem CID123146722
Molecular FormulaC5H13N5O
Molecular Weight159.19 g/mol
Exact Mass159.11
IUPAC NameN'-amino-N-hydroxypiperazine-1-carboximidamide
SMILESN/N=C(/NO)N1CCNCC1
InChIInChI=1S/C5H13N5O/c6-8-5(9-11)10-3-1-7-2-4-10/h7,11H,1-4,6H2,(H,8,9)
InChIKeyXVQVHFOOEQRNAL-UHFFFAOYSA-N
XLogP-1.90
TPSA85.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N'-amino-N-hydroxypiperazine-1-carboximidamide?
The IUPAC name of N'-amino-N-hydroxypiperazine-1-carboximidamide (CID 123146722) is N'-amino-N-hydroxypiperazine-1-carboximidamide.
What is the SMILES notation for N'-amino-N-hydroxypiperazine-1-carboximidamide?
The canonical SMILES for N'-amino-N-hydroxypiperazine-1-carboximidamide is N/N=C(/NO)N1CCNCC1.
What is the InChIKey of N'-amino-N-hydroxypiperazine-1-carboximidamide?
The InChIKey is XVQVHFOOEQRNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5O/c6-8-5(9-11)10-3-1-7-2-4-10/h7,11H,1-4,6H2,(H,8,9).
What are the key properties of N'-amino-N-hydroxypiperazine-1-carboximidamide?
N'-amino-N-hydroxypiperazine-1-carboximidamide has a molecular weight of 159.19 g/mol, XLogP of -1.90, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N-hydroxypiperazine-1-carboximidamide is sourced from PubChem (CID 123146722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).