N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide

C9H13N5O2 — CID 135804095

IUPACN'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide
SMILESN/C(=N\O)c1nccnc1N1CCOCC1
InChIInChI=1S/C9H13N5O2/c10-8(13-15)7-9(12-2-1-11-7)14-3-5-16-6-4-14/h1-2,15H,3-6H2,(H2,10,13)
InChIKeyOMACBQPKCJJIPD-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.59
Rot. Bonds2

About N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide

N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide (PubChem CID 135804095) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide
PubChem CID135804095
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC NameN'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide
SMILESN/C(=N\O)c1nccnc1N1CCOCC1
InChIInChI=1S/C9H13N5O2/c10-8(13-15)7-9(12-2-1-11-7)14-3-5-16-6-4-14/h1-2,15H,3-6H2,(H2,10,13)
InChIKeyOMACBQPKCJJIPD-UHFFFAOYSA-N
XLogP-0.59
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide (CID 135804095) is N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide is N/C(=N\O)c1nccnc1N1CCOCC1.
What is the InChIKey of N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide?
The InChIKey is OMACBQPKCJJIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-8(13-15)7-9(12-2-1-11-7)14-3-5-16-6-4-14/h1-2,15H,3-6H2,(H2,10,13).
What are the key properties of N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide?
N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide has a molecular weight of 223.24 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-morpholin-4-ylpyrazine-2-carboximidamide is sourced from PubChem (CID 135804095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).