1-amino-2-(5-methyl-3-pyridinyl)guanidine

C7H11N5 — CID 107587191

IUPAC1-amino-2-(5-methyl-3-pyridinyl)guanidine
SMILESCc1cncc(/N=C(\N)NN)c1
InChIInChI=1S/C7H11N5/c1-5-2-6(4-10-3-5)11-7(8)12-9/h2-4H,9H2,1H3,(H3,8,11,12)
InChIKeyOHORXLBSSNVSJG-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.20
Rot. Bonds1

About 1-amino-2-(5-methyl-3-pyridinyl)guanidine

1-amino-2-(5-methyl-3-pyridinyl)guanidine (PubChem CID 107587191) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-amino-2-(5-methyl-3-pyridinyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(5-methyl-3-pyridinyl)guanidine
PubChem CID107587191
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name1-amino-2-(5-methyl-3-pyridinyl)guanidine
SMILESCc1cncc(/N=C(\N)NN)c1
InChIInChI=1S/C7H11N5/c1-5-2-6(4-10-3-5)11-7(8)12-9/h2-4H,9H2,1H3,(H3,8,11,12)
InChIKeyOHORXLBSSNVSJG-UHFFFAOYSA-N
XLogP-0.20
TPSA89.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.20
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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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(5-methyl-3-pyridinyl)guanidine?
The IUPAC name of 1-amino-2-(5-methyl-3-pyridinyl)guanidine (CID 107587191) is 1-amino-2-(5-methyl-3-pyridinyl)guanidine.
What is the SMILES notation for 1-amino-2-(5-methyl-3-pyridinyl)guanidine?
The canonical SMILES for 1-amino-2-(5-methyl-3-pyridinyl)guanidine is Cc1cncc(/N=C(\N)NN)c1.
What is the InChIKey of 1-amino-2-(5-methyl-3-pyridinyl)guanidine?
The InChIKey is OHORXLBSSNVSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-5-2-6(4-10-3-5)11-7(8)12-9/h2-4H,9H2,1H3,(H3,8,11,12).
What are the key properties of 1-amino-2-(5-methyl-3-pyridinyl)guanidine?
1-amino-2-(5-methyl-3-pyridinyl)guanidine has a molecular weight of 165.20 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(5-methyl-3-pyridinyl)guanidine is sourced from PubChem (CID 107587191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).