[6-(hydroxymethyl)pyridazin-3-yl]carbamic acid

C6H7N3O3 — CID 170340038

IUPAC[6-(hydroxymethyl)pyridazin-3-yl]carbamic acid
SMILESO=C(O)Nc1ccc(CO)nn1
InChIInChI=1S/C6H7N3O3/c10-3-4-1-2-5(9-8-4)7-6(11)12/h1-2,10H,3H2,(H,7,9)(H,11,12)
InChIKeyRFQGQLPJEAXSBV-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.06
Rot. Bonds2

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

[6-(hydroxymethyl)pyridazin-3-yl]carbamic acid (PubChem CID 170340038) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is [6-(hydroxymethyl)pyridazin-3-yl]carbamic acid.

Molecular Properties

Compound Name[6-(hydroxymethyl)pyridazin-3-yl]carbamic acid
PubChem CID170340038
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name[6-(hydroxymethyl)pyridazin-3-yl]carbamic acid
SMILESO=C(O)Nc1ccc(CO)nn1
InChIInChI=1S/C6H7N3O3/c10-3-4-1-2-5(9-8-4)7-6(11)12/h1-2,10H,3H2,(H,7,9)(H,11,12)
InChIKeyRFQGQLPJEAXSBV-UHFFFAOYSA-N
XLogP0.06
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(Dimethylamino)pyridazin-3-yl]methanol
CID 61257880
(6-Aminopyridazin-3-yl)methanol
CID 20557894
[6-(Propan-2-ylamino)pyridazin-3-yl]methanol
CID 104120535
[6-(2-Methoxyethylamino)pyridazin-3-yl]methanol
CID 104120597
6-(Methoxycarbonylamino)pyridazine-3-carboxylic acid
CID 118469876
tert-butyl N-[6-(hydroxymethyl)pyridazin-3-yl]carbamate
CID 125451549
(6-Methylpyridazin-3-yl)carbamic acid
CID 153992847
[6-(Hydroxymethyl)-5-methylpyridazin-3-yl]carbamic acid
CID 170339496
[5-[Ethyl(methyl)amino]-6-(hydroxymethyl)pyridazin-3-yl]carbamic acid
CID 170339577
[6-(1-Hydroxyethyl)pyridazin-3-yl]carbamic acid
CID 170340000
[6-(1-Hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid
CID 170340109
[6-(3-Hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid
CID 170340195

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)pyridazin-3-yl]carbamic acid?
The IUPAC name of [6-(hydroxymethyl)pyridazin-3-yl]carbamic acid (CID 170340038) is [6-(hydroxymethyl)pyridazin-3-yl]carbamic acid.
What is the SMILES notation for [6-(hydroxymethyl)pyridazin-3-yl]carbamic acid?
The canonical SMILES for [6-(hydroxymethyl)pyridazin-3-yl]carbamic acid is O=C(O)Nc1ccc(CO)nn1.
What is the InChIKey of [6-(hydroxymethyl)pyridazin-3-yl]carbamic acid?
The InChIKey is RFQGQLPJEAXSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c10-3-4-1-2-5(9-8-4)7-6(11)12/h1-2,10H,3H2,(H,7,9)(H,11,12).
What are the key properties of [6-(hydroxymethyl)pyridazin-3-yl]carbamic acid?
[6-(hydroxymethyl)pyridazin-3-yl]carbamic acid has a molecular weight of 169.14 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)pyridazin-3-yl]carbamic acid is sourced from PubChem (CID 170340038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).