1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine

C8H12N4O — CID 62483522

IUPAC1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine
SMILESCC(/N=C(\N)NO)c1ccncc1
InChIInChI=1S/C8H12N4O/c1-6(11-8(9)12-13)7-2-4-10-5-3-7/h2-6,13H,1H3,(H3,9,11,12)
InChIKeyKLWVWXIFLUKZAL-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.44
Rot. Bonds2

About 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine

1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine (PubChem CID 62483522) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine
PubChem CID62483522
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine
SMILESCC(/N=C(\N)NO)c1ccncc1
InChIInChI=1S/C8H12N4O/c1-6(11-8(9)12-13)7-2-4-10-5-3-7/h2-6,13H,1H3,(H3,9,11,12)
InChIKeyKLWVWXIFLUKZAL-UHFFFAOYSA-N
XLogP0.44
TPSA83.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

1-propan-2-yl-2-(1-pyridin-4-ylethyl)guanidine
CID 62362636
2-[1-(3-fluorophenyl)ethyl]-1-hydroxyguanidine
CID 62482309
1-amino-2-[1-(4-methylphenyl)ethyl]guanidine
CID 64866886
N'-(1-pyridin-4-ylethyl)cyclohexanecarboximidamide
CID 55160157
1-amino-2-[1-(4-chlorophenyl)ethyl]guanidine
CID 64869068
1-propan-2-yl-2-(1-pyridin-3-ylethyl)guanidine
CID 62362194
N-[(1R)-1-pyridin-4-ylpropyl]hydroxylamine
CID 130707242
4-(1-azidoethyl)pyridine
CID 18441931
N'-hydroxy-2-(1-pyridin-4-ylethylamino)ethanimidamide
CID 77029615
1-(2-methylpropyl)-2-(pyridin-4-ylmethyl)guanidine
CID 62362186
2-(1-pyridin-4-ylethylamino)acetamide
CID 16775752
N,4-dimethyl-1-pyridin-4-ylpentan-1-amine
CID 62600732

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine?
The IUPAC name of 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine (CID 62483522) is 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine.
What is the SMILES notation for 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine?
The canonical SMILES for 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine is CC(/N=C(\N)NO)c1ccncc1.
What is the InChIKey of 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine?
The InChIKey is KLWVWXIFLUKZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-6(11-8(9)12-13)7-2-4-10-5-3-7/h2-6,13H,1H3,(H3,9,11,12).
What are the key properties of 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine?
1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine has a molecular weight of 180.21 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-(1-pyridin-4-ylethyl)guanidine is sourced from PubChem (CID 62483522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).