N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide

C16H22N8O2 — CID 11337277

IUPACN'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide
SMILESN/C(=N\CCOCCOCC/N=C(\N)c1cnccn1)c1cnccn1
InChIInChI=1S/C16H22N8O2/c17-15(13-11-19-1-3-21-13)23-5-7-25-9-10-26-8-6-24-16(18)14-12-20-2-4-22-14/h1-4,11-12H,5-10H2,(H2,17,23)(H2,18,24)
InChIKeyJAUFGLHSBMGLLV-UHFFFAOYSA-N
MW358.41 g/mol
LogP-0.59
Rot. Bonds11

About N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide

N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide (PubChem CID 11337277) has the molecular formula C16H22N8O2 and a molecular weight of 358.41 g/mol. Its IUPAC name is N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide
PubChem CID11337277
Molecular FormulaC16H22N8O2
Molecular Weight358.41 g/mol
Exact Mass358.19
IUPAC NameN'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide
SMILESN/C(=N\CCOCCOCC/N=C(\N)c1cnccn1)c1cnccn1
InChIInChI=1S/C16H22N8O2/c17-15(13-11-19-1-3-21-13)23-5-7-25-9-10-26-8-6-24-16(18)14-12-20-2-4-22-14/h1-4,11-12H,5-10H2,(H2,17,23)(H2,18,24)
InChIKeyJAUFGLHSBMGLLV-UHFFFAOYSA-N
XLogP-0.59
TPSA146.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-morpholin-4-ylethyl)pyrazine-2-carboximidamide
CID 71568915
N'-[4-[[amino(pyrazin-2-yl)methylidene]amino]butyl]pyrazine-2-carboximidamide
CID 71569072
N'-morpholin-4-ylpyrazine-2-carboximidamide
CID 12506283
Morpholin-4-yl(pyrazin-2-yl)methanimine
CID 63179816
N'-(2-methoxyethyl)pyrazine-2-carboximidamide
CID 63181726

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide?
The IUPAC name of N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide (CID 11337277) is N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide.
What is the SMILES notation for N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide?
The canonical SMILES for N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide is N/C(=N\CCOCCOCC/N=C(\N)c1cnccn1)c1cnccn1.
What is the InChIKey of N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide?
The InChIKey is JAUFGLHSBMGLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O2/c17-15(13-11-19-1-3-21-13)23-5-7-25-9-10-26-8-6-24-16(18)14-12-20-2-4-22-14/h1-4,11-12H,5-10H2,(H2,17,23)(H2,18,24).
What are the key properties of N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide?
N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide has a molecular weight of 358.41 g/mol, XLogP of -0.59, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[[amino(pyrazin-2-yl)methylidene]amino]ethoxy]ethoxy]ethyl]pyrazine-2-carboximidamide is sourced from PubChem (CID 11337277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).