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

C9H13N5O — CID 12506283

IUPACN'-morpholin-4-ylpyrazine-2-carboximidamide
SMILESN/C(=N\N1CCOCC1)c1cnccn1
InChIInChI=1S/C9H13N5O/c10-9(8-7-11-1-2-12-8)13-14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H2,10,13)
InChIKeyKRGDUJTUPYNVLQ-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.57
Rot. Bonds2

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

N'-morpholin-4-ylpyrazine-2-carboximidamide (PubChem CID 12506283) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N'-morpholin-4-ylpyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-morpholin-4-ylpyrazine-2-carboximidamide
PubChem CID12506283
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN'-morpholin-4-ylpyrazine-2-carboximidamide
SMILESN/C(=N\N1CCOCC1)c1cnccn1
InChIInChI=1S/C9H13N5O/c10-9(8-7-11-1-2-12-8)13-14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H2,10,13)
InChIKeyKRGDUJTUPYNVLQ-UHFFFAOYSA-N
XLogP-0.57
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'-morpholin-4-ylpyrazine-2-carboximidamide?
The IUPAC name of N'-morpholin-4-ylpyrazine-2-carboximidamide (CID 12506283) is N'-morpholin-4-ylpyrazine-2-carboximidamide.
What is the SMILES notation for N'-morpholin-4-ylpyrazine-2-carboximidamide?
The canonical SMILES for N'-morpholin-4-ylpyrazine-2-carboximidamide is N/C(=N\N1CCOCC1)c1cnccn1.
What is the InChIKey of N'-morpholin-4-ylpyrazine-2-carboximidamide?
The InChIKey is KRGDUJTUPYNVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c10-9(8-7-11-1-2-12-8)13-14-3-5-15-6-4-14/h1-2,7H,3-6H2,(H2,10,13).
What are the key properties of N'-morpholin-4-ylpyrazine-2-carboximidamide?
N'-morpholin-4-ylpyrazine-2-carboximidamide has a molecular weight of 207.24 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-morpholin-4-ylpyrazine-2-carboximidamide is sourced from PubChem (CID 12506283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).