1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine

C8H13N3O — CID 67145729

IUPAC1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine
SMILES[H]/N=c1/c(NC)c(C)cc(C)n1O
InChIInChI=1S/C8H13N3O/c1-5-4-6(2)11(12)8(9)7(5)10-3/h4,9-10,12H,1-3H3/b9-8-
InChIKeyLMVJFRWADKPPHG-HJWRWDBZSA-N
MW167.21 g/mol
LogP0.86
Rot. Bonds1

About 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine

1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine (PubChem CID 67145729) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine.

Molecular Properties

Compound Name1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine
PubChem CID67145729
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine
SMILES[H]/N=c1/c(NC)c(C)cc(C)n1O
InChIInChI=1S/C8H13N3O/c1-5-4-6(2)11(12)8(9)7(5)10-3/h4,9-10,12H,1-3H3/b9-8-
InChIKeyLMVJFRWADKPPHG-HJWRWDBZSA-N
XLogP0.86
TPSA61.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine?
The IUPAC name of 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine (CID 67145729) is 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine.
What is the SMILES notation for 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine?
The canonical SMILES for 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine is [H]/N=c1/c(NC)c(C)cc(C)n1O.
What is the InChIKey of 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine?
The InChIKey is LMVJFRWADKPPHG-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-4-6(2)11(12)8(9)7(5)10-3/h4,9-10,12H,1-3H3/b9-8-.
What are the key properties of 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine?
1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine has a molecular weight of 167.21 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-imino-N,4,6-trimethylpyridin-3-amine is sourced from PubChem (CID 67145729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).