[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid

C7H9N3O3 — CID 170339496

IUPAC[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid
SMILESCc1cc(NC(=O)O)nnc1CO
InChIInChI=1S/C7H9N3O3/c1-4-2-6(8-7(12)13)10-9-5(4)3-11/h2,11H,3H2,1H3,(H,8,10)(H,12,13)
InChIKeySTORFCZFXCDBPZ-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.37
Rot. Bonds2

About [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid

[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid (PubChem CID 170339496) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid.

Molecular Properties

Compound Name[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid
PubChem CID170339496
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid
SMILESCc1cc(NC(=O)O)nnc1CO
InChIInChI=1S/C7H9N3O3/c1-4-2-6(8-7(12)13)10-9-5(4)3-11/h2,11H,3H2,1H3,(H,8,10)(H,12,13)
InChIKeySTORFCZFXCDBPZ-UHFFFAOYSA-N
XLogP0.37
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid?
The IUPAC name of [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid (CID 170339496) is [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid.
What is the SMILES notation for [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid?
The canonical SMILES for [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid is Cc1cc(NC(=O)O)nnc1CO.
What is the InChIKey of [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid?
The InChIKey is STORFCZFXCDBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4-2-6(8-7(12)13)10-9-5(4)3-11/h2,11H,3H2,1H3,(H,8,10)(H,12,13).
What are the key properties of [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid?
[6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid has a molecular weight of 183.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid is sourced from PubChem (CID 170339496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).