(3,6-dichloropyridazin-4-yl)-methylcarbamic acid

C6H5Cl2N3O2 — CID 89251172

IUPAC(3,6-dichloropyridazin-4-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C6H5Cl2N3O2/c1-11(6(12)13)3-2-4(7)9-10-5(3)8/h2H,1H3,(H,12,13)
InChIKeyQLMJYMATFVCSQX-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.90
Rot. Bonds1

About (3,6-dichloropyridazin-4-yl)-methylcarbamic acid

(3,6-dichloropyridazin-4-yl)-methylcarbamic acid (PubChem CID 89251172) has the molecular formula C6H5Cl2N3O2 and a molecular weight of 222.03 g/mol. Its IUPAC name is (3,6-dichloropyridazin-4-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(3,6-dichloropyridazin-4-yl)-methylcarbamic acid
PubChem CID89251172
Molecular FormulaC6H5Cl2N3O2
Molecular Weight222.03 g/mol
Exact Mass220.98
IUPAC Name(3,6-dichloropyridazin-4-yl)-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C6H5Cl2N3O2/c1-11(6(12)13)3-2-4(7)9-10-5(3)8/h2H,1H3,(H,12,13)
InChIKeyQLMJYMATFVCSQX-UHFFFAOYSA-N
XLogP1.90
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,6-dichloropyridazin-4-yl)-methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3,6-dichloropyridazin-4-yl)-methylcarbamic acid?
The IUPAC name of (3,6-dichloropyridazin-4-yl)-methylcarbamic acid (CID 89251172) is (3,6-dichloropyridazin-4-yl)-methylcarbamic acid.
What is the SMILES notation for (3,6-dichloropyridazin-4-yl)-methylcarbamic acid?
The canonical SMILES for (3,6-dichloropyridazin-4-yl)-methylcarbamic acid is CN(C(=O)O)c1cc(Cl)nnc1Cl.
What is the InChIKey of (3,6-dichloropyridazin-4-yl)-methylcarbamic acid?
The InChIKey is QLMJYMATFVCSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Cl2N3O2/c1-11(6(12)13)3-2-4(7)9-10-5(3)8/h2H,1H3,(H,12,13).
What are the key properties of (3,6-dichloropyridazin-4-yl)-methylcarbamic acid?
(3,6-dichloropyridazin-4-yl)-methylcarbamic acid has a molecular weight of 222.03 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dichloropyridazin-4-yl)-methylcarbamic acid is sourced from PubChem (CID 89251172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).