chloro 4-aminopyridazine-3-carboxylate

C5H4ClN3O2 — CID 69090382

IUPACchloro 4-aminopyridazine-3-carboxylate
SMILESNc1ccnnc1C(=O)OCl
InChIInChI=1S/C5H4ClN3O2/c6-11-5(10)4-3(7)1-2-8-9-4/h1-2H,(H2,7,8)
InChIKeyQULGVUMKLUSABN-UHFFFAOYSA-N
MW173.56 g/mol
LogP0.37
Rot. Bonds1

About chloro 4-aminopyridazine-3-carboxylate

chloro 4-aminopyridazine-3-carboxylate (PubChem CID 69090382) has the molecular formula C5H4ClN3O2 and a molecular weight of 173.56 g/mol. Its IUPAC name is chloro 4-aminopyridazine-3-carboxylate.

Molecular Properties

Compound Namechloro 4-aminopyridazine-3-carboxylate
PubChem CID69090382
Molecular FormulaC5H4ClN3O2
Molecular Weight173.56 g/mol
Exact Mass173.00
IUPAC Namechloro 4-aminopyridazine-3-carboxylate
SMILESNc1ccnnc1C(=O)OCl
InChIInChI=1S/C5H4ClN3O2/c6-11-5(10)4-3(7)1-2-8-9-4/h1-2H,(H2,7,8)
InChIKeyQULGVUMKLUSABN-UHFFFAOYSA-N
XLogP0.37
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.56
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of chloro 4-aminopyridazine-3-carboxylate?
The IUPAC name of chloro 4-aminopyridazine-3-carboxylate (CID 69090382) is chloro 4-aminopyridazine-3-carboxylate.
What is the SMILES notation for chloro 4-aminopyridazine-3-carboxylate?
The canonical SMILES for chloro 4-aminopyridazine-3-carboxylate is Nc1ccnnc1C(=O)OCl.
What is the InChIKey of chloro 4-aminopyridazine-3-carboxylate?
The InChIKey is QULGVUMKLUSABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN3O2/c6-11-5(10)4-3(7)1-2-8-9-4/h1-2H,(H2,7,8).
What are the key properties of chloro 4-aminopyridazine-3-carboxylate?
chloro 4-aminopyridazine-3-carboxylate has a molecular weight of 173.56 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 4-aminopyridazine-3-carboxylate is sourced from PubChem (CID 69090382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).