2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride

C12H15ClN4O — CID 118730513

IUPAC2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride
SMILESCc1ccc(N/C(N)=N/Cc2ccco2)nc1.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-9-4-5-11(14-7-9)16-12(13)15-8-10-3-2-6-17-10;/h2-7H,8H2,1H3,(H3,13,14,15,16);1H
InChIKeyHRLSDDBIOVTTRW-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.33
Rot. Bonds3

About 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride

2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride (PubChem CID 118730513) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride
PubChem CID118730513
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride
SMILESCc1ccc(N/C(N)=N/Cc2ccco2)nc1.Cl
InChIInChI=1S/C12H14N4O.ClH/c1-9-4-5-11(14-7-9)16-12(13)15-8-10-3-2-6-17-10;/h2-7H,8H2,1H3,(H3,13,14,15,16);1H
InChIKeyHRLSDDBIOVTTRW-UHFFFAOYSA-N
XLogP2.33
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride?
The IUPAC name of 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride (CID 118730513) is 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride is Cc1ccc(N/C(N)=N/Cc2ccco2)nc1.Cl.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride?
The InChIKey is HRLSDDBIOVTTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O.ClH/c1-9-4-5-11(14-7-9)16-12(13)15-8-10-3-2-6-17-10;/h2-7H,8H2,1H3,(H3,13,14,15,16);1H.
What are the key properties of 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride?
2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride has a molecular weight of 266.73 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-(5-methyl-2-pyridinyl)guanidine;hydrochloride is sourced from PubChem (CID 118730513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).