1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine

C8H11N5 — CID 54351643

IUPAC1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine
SMILESN#CNC(N)=NCN1C=CC=CC1
InChIInChI=1S/C8H11N5/c9-6-11-8(10)12-7-13-4-2-1-3-5-13/h1-4H,5,7H2,(H3,10,11,12)
InChIKeyUGEPMQAHEZJKKF-UHFFFAOYSA-N
MW177.21 g/mol
LogP-0.29
Rot. Bonds2

About 1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine

1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine (PubChem CID 54351643) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine
PubChem CID54351643
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine
SMILESN#CNC(N)=NCN1C=CC=CC1
InChIInChI=1S/C8H11N5/c9-6-11-8(10)12-7-13-4-2-1-3-5-13/h1-4H,5,7H2,(H3,10,11,12)
InChIKeyUGEPMQAHEZJKKF-UHFFFAOYSA-N
XLogP-0.29
TPSA77.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-2-(2H-pyridin-1-ylmethyl)guanidine?
The IUPAC name of 1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine (CID 54351643) is 1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine.
What is the SMILES notation for 1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine?
The canonical SMILES for 1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine is N#CNC(N)=NCN1C=CC=CC1.
What is the InChIKey of 1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine?
The InChIKey is UGEPMQAHEZJKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-6-11-8(10)12-7-13-4-2-1-3-5-13/h1-4H,5,7H2,(H3,10,11,12).
What are the key properties of 1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine?
1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine has a molecular weight of 177.21 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2H-pyridin-1-ylmethyl)guanidine is sourced from PubChem (CID 54351643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).