[6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid

C9H13N3O4 — CID 170340195

IUPAC[6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid
SMILESCOC(CCO)c1ccc(NC(=O)O)nn1
InChIInChI=1S/C9H13N3O4/c1-16-7(4-5-13)6-2-3-8(12-11-6)10-9(14)15/h2-3,7,13H,4-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyAXNIDVVMHMHBLE-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.64
Rot. Bonds5

About [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid

[6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid (PubChem CID 170340195) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid.

Molecular Properties

Compound Name[6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid
PubChem CID170340195
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name[6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid
SMILESCOC(CCO)c1ccc(NC(=O)O)nn1
InChIInChI=1S/C9H13N3O4/c1-16-7(4-5-13)6-2-3-8(12-11-6)10-9(14)15/h2-3,7,13H,4-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyAXNIDVVMHMHBLE-UHFFFAOYSA-N
XLogP0.64
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid?
The IUPAC name of [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid (CID 170340195) is [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid.
What is the SMILES notation for [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid?
The canonical SMILES for [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid is COC(CCO)c1ccc(NC(=O)O)nn1.
What is the InChIKey of [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid?
The InChIKey is AXNIDVVMHMHBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-16-7(4-5-13)6-2-3-8(12-11-6)10-9(14)15/h2-3,7,13H,4-5H2,1H3,(H,10,12)(H,14,15).
What are the key properties of [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid?
[6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid has a molecular weight of 227.22 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-hydroxy-1-methoxypropyl)pyridazin-3-yl]carbamic acid is sourced from PubChem (CID 170340195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).