1-hydroxy-4-imino-2-methylpyridin-3-amine

C6H9N3O — CID 68581068

IUPAC1-hydroxy-4-imino-2-methylpyridin-3-amine
SMILES[H]/N=c1\ccn(O)c(C)c1N
InChIInChI=1S/C6H9N3O/c1-4-6(8)5(7)2-3-9(4)10/h2-3,7,10H,8H2,1H3/b7-5+
InChIKeyXOPMPQNFXXBFKU-FNORWQNLSA-N
MW139.16 g/mol
LogP0.10
Rot. Bonds

About 1-hydroxy-4-imino-2-methylpyridin-3-amine

1-hydroxy-4-imino-2-methylpyridin-3-amine (PubChem CID 68581068) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-hydroxy-4-imino-2-methylpyridin-3-amine.

Molecular Properties

Compound Name1-hydroxy-4-imino-2-methylpyridin-3-amine
PubChem CID68581068
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-hydroxy-4-imino-2-methylpyridin-3-amine
SMILES[H]/N=c1\ccn(O)c(C)c1N
InChIInChI=1S/C6H9N3O/c1-4-6(8)5(7)2-3-9(4)10/h2-3,7,10H,8H2,1H3/b7-5+
InChIKeyXOPMPQNFXXBFKU-FNORWQNLSA-N
XLogP0.10
TPSA75.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.10
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-4-imino-2-methylpyridin-3-amine?
The IUPAC name of 1-hydroxy-4-imino-2-methylpyridin-3-amine (CID 68581068) is 1-hydroxy-4-imino-2-methylpyridin-3-amine.
What is the SMILES notation for 1-hydroxy-4-imino-2-methylpyridin-3-amine?
The canonical SMILES for 1-hydroxy-4-imino-2-methylpyridin-3-amine is [H]/N=c1\ccn(O)c(C)c1N.
What is the InChIKey of 1-hydroxy-4-imino-2-methylpyridin-3-amine?
The InChIKey is XOPMPQNFXXBFKU-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-6(8)5(7)2-3-9(4)10/h2-3,7,10H,8H2,1H3/b7-5+.
What are the key properties of 1-hydroxy-4-imino-2-methylpyridin-3-amine?
1-hydroxy-4-imino-2-methylpyridin-3-amine has a molecular weight of 139.16 g/mol, XLogP of 0.10, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-imino-2-methylpyridin-3-amine is sourced from PubChem (CID 68581068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).