1-cyano-2-propyl-3-pyridin-3-ylguanidine

C10H13N5 — CID 3042798

IUPAC1-cyano-2-propyl-3-pyridin-3-ylguanidine
SMILESCCC/N=C(\NC#N)Nc1cccnc1
InChIInChI=1S/C10H13N5/c1-2-5-13-10(14-8-11)15-9-4-3-6-12-7-9/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15)
InChIKeyBOSGAOAGCGYYOH-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.33
Rot. Bonds3

About 1-cyano-2-propyl-3-pyridin-3-ylguanidine

1-cyano-2-propyl-3-pyridin-3-ylguanidine (PubChem CID 3042798) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-cyano-2-propyl-3-pyridin-3-ylguanidine.

Molecular Properties

Compound Name1-cyano-2-propyl-3-pyridin-3-ylguanidine
PubChem CID3042798
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-cyano-2-propyl-3-pyridin-3-ylguanidine
SMILESCCC/N=C(\NC#N)Nc1cccnc1
InChIInChI=1S/C10H13N5/c1-2-5-13-10(14-8-11)15-9-4-3-6-12-7-9/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15)
InChIKeyBOSGAOAGCGYYOH-UHFFFAOYSA-N
XLogP1.33
TPSA73.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.33
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-propyl-3-pyridin-3-ylguanidine?
The IUPAC name of 1-cyano-2-propyl-3-pyridin-3-ylguanidine (CID 3042798) is 1-cyano-2-propyl-3-pyridin-3-ylguanidine.
What is the SMILES notation for 1-cyano-2-propyl-3-pyridin-3-ylguanidine?
The canonical SMILES for 1-cyano-2-propyl-3-pyridin-3-ylguanidine is CCC/N=C(\NC#N)Nc1cccnc1.
What is the InChIKey of 1-cyano-2-propyl-3-pyridin-3-ylguanidine?
The InChIKey is BOSGAOAGCGYYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-2-5-13-10(14-8-11)15-9-4-3-6-12-7-9/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyano-2-propyl-3-pyridin-3-ylguanidine?
1-cyano-2-propyl-3-pyridin-3-ylguanidine has a molecular weight of 203.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-propyl-3-pyridin-3-ylguanidine is sourced from PubChem (CID 3042798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).