1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine

C11H17N7 — CID 54105532

IUPAC1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine
SMILESCCN/C(=N/CCNCc1cnccn1)NC#N
InChIInChI=1S/C11H17N7/c1-2-15-11(18-9-12)17-6-4-14-8-10-7-13-3-5-16-10/h3,5,7,14H,2,4,6,8H2,1H3,(H2,15,17,18)
InChIKeyNDMJRHUDQSIIBU-UHFFFAOYSA-N
MW247.31 g/mol
LogP-0.40
Rot. Bonds6

About 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine

1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine (PubChem CID 54105532) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine.

Molecular Properties

Compound Name1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine
PubChem CID54105532
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine
SMILESCCN/C(=N/CCNCc1cnccn1)NC#N
InChIInChI=1S/C11H17N7/c1-2-15-11(18-9-12)17-6-4-14-8-10-7-13-3-5-16-10/h3,5,7,14H,2,4,6,8H2,1H3,(H2,15,17,18)
InChIKeyNDMJRHUDQSIIBU-UHFFFAOYSA-N
XLogP-0.40
TPSA98.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
The IUPAC name of 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine (CID 54105532) is 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine.
What is the SMILES notation for 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
The canonical SMILES for 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine is CCN/C(=N/CCNCc1cnccn1)NC#N.
What is the InChIKey of 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
The InChIKey is NDMJRHUDQSIIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-2-15-11(18-9-12)17-6-4-14-8-10-7-13-3-5-16-10/h3,5,7,14H,2,4,6,8H2,1H3,(H2,15,17,18).
What are the key properties of 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine?
1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine has a molecular weight of 247.31 g/mol, XLogP of -0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-ethyl-2-[2-(pyrazin-2-ylmethylamino)ethyl]guanidine is sourced from PubChem (CID 54105532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).