(6-methoxypyridazin-3-yl)carbamic acid

C6H7N3O3 — CID 68896091

IUPAC(6-methoxypyridazin-3-yl)carbamic acid
SMILESCOc1ccc(NC(=O)O)nn1
InChIInChI=1S/C6H7N3O3/c1-12-5-3-2-4(8-9-5)7-6(10)11/h2-3H,1H3,(H,7,8)(H,10,11)
InChIKeyWWRSQOQMOMNEBU-UHFFFAOYSA-N
MW169.14 g/mol
LogP0.58
Rot. Bonds2

About (6-methoxypyridazin-3-yl)carbamic acid

(6-methoxypyridazin-3-yl)carbamic acid (PubChem CID 68896091) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)carbamic acid.

Molecular Properties

Compound Name(6-methoxypyridazin-3-yl)carbamic acid
PubChem CID68896091
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name(6-methoxypyridazin-3-yl)carbamic acid
SMILESCOc1ccc(NC(=O)O)nn1
InChIInChI=1S/C6H7N3O3/c1-12-5-3-2-4(8-9-5)7-6(10)11/h2-3H,1H3,(H,7,8)(H,10,11)
InChIKeyWWRSQOQMOMNEBU-UHFFFAOYSA-N
XLogP0.58
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-methoxypyridazin-3-yl)-4-methylpentanamide
CID 130214696
(2R,3S)-2,3-dibenzoyloxy-4-[(6-methoxypyridazin-3-yl)amino]-4-oxobutanoic acid
CID 41302405
N-(6-methoxypyridazin-3-yl)oxolane-3-carboxamide
CID 155503304
(2R,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-[(6-methoxypyridazin-3-yl)amino]-4-oxobutanoic acid
CID 126387433
(2R,3R)-2,3-bis[(4-chlorobenzoyl)oxy]-4-[(6-methoxypyridazin-3-yl)amino]-4-oxobutanoic acid
CID 126380743
3-[(6-methoxypyridazin-3-yl)carbamoyl]-4-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6411803
(1R,2S,3R,4R)-3-[(6-methoxypyridazin-3-yl)carbamoyl]-4-methyl-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 126385015
boric acid;3,6-dimethoxypyridazine
CID 139090617
2-(1H-indol-5-yl)-N-(6-methoxypyridazin-3-yl)acetamide
CID 68638504
N-(6-propan-2-yloxypyridazin-3-yl)propanamide
CID 119044052
N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 102562775
(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 99794040

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)carbamic acid?
The IUPAC name of (6-methoxypyridazin-3-yl)carbamic acid (CID 68896091) is (6-methoxypyridazin-3-yl)carbamic acid.
What is the SMILES notation for (6-methoxypyridazin-3-yl)carbamic acid?
The canonical SMILES for (6-methoxypyridazin-3-yl)carbamic acid is COc1ccc(NC(=O)O)nn1.
What is the InChIKey of (6-methoxypyridazin-3-yl)carbamic acid?
The InChIKey is WWRSQOQMOMNEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-12-5-3-2-4(8-9-5)7-6(10)11/h2-3H,1H3,(H,7,8)(H,10,11).
What are the key properties of (6-methoxypyridazin-3-yl)carbamic acid?
(6-methoxypyridazin-3-yl)carbamic acid has a molecular weight of 169.14 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)carbamic acid is sourced from PubChem (CID 68896091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).