2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine

C8H14N6 — CID 20567476

IUPAC2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine
SMILESNC(N)=NCCNCc1cnccn1
InChIInChI=1S/C8H14N6/c9-8(10)14-4-2-12-6-7-5-11-1-3-13-7/h1,3,5,12H,2,4,6H2,(H4,9,10,14)
InChIKeyOTWBWNGMZUEUHC-UHFFFAOYSA-N
MW194.24 g/mol
LogP-1.16
Rot. Bonds5

About 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine

2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine (PubChem CID 20567476) has the molecular formula C8H14N6 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine
PubChem CID20567476
Molecular FormulaC8H14N6
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine
SMILESNC(N)=NCCNCc1cnccn1
InChIInChI=1S/C8H14N6/c9-8(10)14-4-2-12-6-7-5-11-1-3-13-7/h1,3,5,12H,2,4,6H2,(H4,9,10,14)
InChIKeyOTWBWNGMZUEUHC-UHFFFAOYSA-N
XLogP-1.16
TPSA102.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine (CID 20567476) is 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine is NC(N)=NCCNCc1cnccn1.
What is the InChIKey of 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
The InChIKey is OTWBWNGMZUEUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6/c9-8(10)14-4-2-12-6-7-5-11-1-3-13-7/h1,3,5,12H,2,4,6H2,(H4,9,10,14).
What are the key properties of 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine has a molecular weight of 194.24 g/mol, XLogP of -1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine is sourced from PubChem (CID 20567476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).