6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide

C12H17N5O3 — CID 135582749

IUPAC6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cncc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C12H17N5O3/c13-11(16-18)9-7-14-8-10(15-9)17-3-1-12(2-4-17)19-5-6-20-12/h7-8,18H,1-6H2,(H2,13,16)
InChIKeySCWWJUHBUHYFHZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP-0.09
Rot. Bonds2

About 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 135582749) has the molecular formula C12H17N5O3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide
PubChem CID135582749
Molecular FormulaC12H17N5O3
Molecular Weight279.30 g/mol
Exact Mass279.13
IUPAC Name6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide
SMILESN/C(=N\O)c1cncc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C12H17N5O3/c13-11(16-18)9-7-14-8-10(15-9)17-3-1-12(2-4-17)19-5-6-20-12/h7-8,18H,1-6H2,(H2,13,16)
InChIKeySCWWJUHBUHYFHZ-UHFFFAOYSA-N
XLogP-0.09
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide (CID 135582749) is 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide is N/C(=N\O)c1cncc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is SCWWJUHBUHYFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3/c13-11(16-18)9-7-14-8-10(15-9)17-3-1-12(2-4-17)19-5-6-20-12/h7-8,18H,1-6H2,(H2,13,16).
What are the key properties of 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide?
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 279.30 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 135582749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).