6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide

C10H12ClN3O2 — CID 60858880

IUPAC6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O2/c11-9-2-1-8(13-14-9)10(15)12-7-3-5-16-6-4-7/h1-2,7H,3-6H2,(H,12,15)
InChIKeyPUFYZQMAIRMYHB-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.04
Rot. Bonds2

About 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide

6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 60858880) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID60858880
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)c1ccc(Cl)nn1
InChIInChI=1S/C10H12ClN3O2/c11-9-2-1-8(13-14-9)10(15)12-7-3-5-16-6-4-7/h1-2,7H,3-6H2,(H,12,15)
InChIKeyPUFYZQMAIRMYHB-UHFFFAOYSA-N
XLogP1.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 60858880) is 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide is O=C(NC1CCOCC1)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is PUFYZQMAIRMYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-9-2-1-8(13-14-9)10(15)12-7-3-5-16-6-4-7/h1-2,7H,3-6H2,(H,12,15).
What are the key properties of 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 60858880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).