6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide

C7H8ClN3O2 — CID 54390932

IUPAC6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide
SMILESO=C(NCCO)c1ccc(Cl)nn1
InChIInChI=1S/C7H8ClN3O2/c8-6-2-1-5(10-11-6)7(13)9-3-4-12/h1-2,12H,3-4H2,(H,9,13)
InChIKeyVGOQNMMCSBLOSK-UHFFFAOYSA-N
MW201.61 g/mol
LogP-0.15
Rot. Bonds3

About 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide

6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide (PubChem CID 54390932) has the molecular formula C7H8ClN3O2 and a molecular weight of 201.61 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide
PubChem CID54390932
Molecular FormulaC7H8ClN3O2
Molecular Weight201.61 g/mol
Exact Mass201.03
IUPAC Name6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide
SMILESO=C(NCCO)c1ccc(Cl)nn1
InChIInChI=1S/C7H8ClN3O2/c8-6-2-1-5(10-11-6)7(13)9-3-4-12/h1-2,12H,3-4H2,(H,9,13)
InChIKeyVGOQNMMCSBLOSK-UHFFFAOYSA-N
XLogP-0.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide (CID 54390932) is 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide is O=C(NCCO)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide?
The InChIKey is VGOQNMMCSBLOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2/c8-6-2-1-5(10-11-6)7(13)9-3-4-12/h1-2,12H,3-4H2,(H,9,13).
What are the key properties of 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide?
6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide has a molecular weight of 201.61 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 54390932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).