1-amino-2-(pyridin-4-ylmethyl)guanidine

C7H11N5 — CID 23471425

IUPAC1-amino-2-(pyridin-4-ylmethyl)guanidine
SMILESNN/C(N)=N/Cc1ccncc1
InChIInChI=1S/C7H11N5/c8-7(12-9)11-5-6-1-3-10-4-2-6/h1-4H,5,9H2,(H3,8,11,12)
InChIKeyYPFVPFWAIZTKOZ-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.64
Rot. Bonds2

About 1-amino-2-(pyridin-4-ylmethyl)guanidine

1-amino-2-(pyridin-4-ylmethyl)guanidine (PubChem CID 23471425) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-amino-2-(pyridin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(pyridin-4-ylmethyl)guanidine
PubChem CID23471425
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name1-amino-2-(pyridin-4-ylmethyl)guanidine
SMILESNN/C(N)=N/Cc1ccncc1
InChIInChI=1S/C7H11N5/c8-7(12-9)11-5-6-1-3-10-4-2-6/h1-4H,5,9H2,(H3,8,11,12)
InChIKeyYPFVPFWAIZTKOZ-UHFFFAOYSA-N
XLogP-0.64
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(pyridin-4-ylmethyl)guanidine;tetrahydrochloride
CID 23471478
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
1-nitro-2-(pyridin-4-ylmethyl)guanidine
CID 13382812
1-amino-2-(1H-pyrazol-4-ylmethyl)guanidine
CID 64866241
1-amino-2-[(3-methylphenyl)methyl]guanidine
CID 64868829
1-amino-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 86736541
N-methylidene-N'-(pyridin-4-ylmethyl)propanimidamide
CID 123793658
2-[(4-bromophenyl)methyl]-1-hydroxyguanidine
CID 62481269
2-[[4-(4-propan-2-ylphenyl)sulfonylphenyl]methyl]-1-pyridin-4-ylguanidine
CID 129213956

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(pyridin-4-ylmethyl)guanidine?
The IUPAC name of 1-amino-2-(pyridin-4-ylmethyl)guanidine (CID 23471425) is 1-amino-2-(pyridin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-amino-2-(pyridin-4-ylmethyl)guanidine?
The canonical SMILES for 1-amino-2-(pyridin-4-ylmethyl)guanidine is NN/C(N)=N/Cc1ccncc1.
What is the InChIKey of 1-amino-2-(pyridin-4-ylmethyl)guanidine?
The InChIKey is YPFVPFWAIZTKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c8-7(12-9)11-5-6-1-3-10-4-2-6/h1-4H,5,9H2,(H3,8,11,12).
What are the key properties of 1-amino-2-(pyridin-4-ylmethyl)guanidine?
1-amino-2-(pyridin-4-ylmethyl)guanidine has a molecular weight of 165.20 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(pyridin-4-ylmethyl)guanidine is sourced from PubChem (CID 23471425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).