5,6-diamino-2-methylpyridin-3-ol

C6H9N3O — CID 130057572

IUPAC5,6-diamino-2-methylpyridin-3-ol
SMILESCc1nc(N)c(N)cc1O
InChIInChI=1S/C6H9N3O/c1-3-5(10)2-4(7)6(8)9-3/h2,10H,7H2,1H3,(H2,8,9)
InChIKeyLJPDBDHFNCTECT-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.26
Rot. Bonds

About 5,6-diamino-2-methylpyridin-3-ol

5,6-diamino-2-methylpyridin-3-ol (PubChem CID 130057572) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5,6-diamino-2-methylpyridin-3-ol.

Molecular Properties

Compound Name5,6-diamino-2-methylpyridin-3-ol
PubChem CID130057572
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5,6-diamino-2-methylpyridin-3-ol
SMILESCc1nc(N)c(N)cc1O
InChIInChI=1S/C6H9N3O/c1-3-5(10)2-4(7)6(8)9-3/h2,10H,7H2,1H3,(H2,8,9)
InChIKeyLJPDBDHFNCTECT-UHFFFAOYSA-N
XLogP0.26
TPSA85.16 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 ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-2-methylpyridin-3-ol?
The IUPAC name of 5,6-diamino-2-methylpyridin-3-ol (CID 130057572) is 5,6-diamino-2-methylpyridin-3-ol.
What is the SMILES notation for 5,6-diamino-2-methylpyridin-3-ol?
The canonical SMILES for 5,6-diamino-2-methylpyridin-3-ol is Cc1nc(N)c(N)cc1O.
What is the InChIKey of 5,6-diamino-2-methylpyridin-3-ol?
The InChIKey is LJPDBDHFNCTECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-3-5(10)2-4(7)6(8)9-3/h2,10H,7H2,1H3,(H2,8,9).
What are the key properties of 5,6-diamino-2-methylpyridin-3-ol?
5,6-diamino-2-methylpyridin-3-ol has a molecular weight of 139.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-2-methylpyridin-3-ol is sourced from PubChem (CID 130057572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).