6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide

C12H16ClN3O2 — CID 83033818

IUPAC6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)nn2)CCO1
InChIInChI=1S/C12H16ClN3O2/c1-12(2)7-8(5-6-18-12)14-11(17)9-3-4-10(13)16-15-9/h3-4,8H,5-7H2,1-2H3,(H,14,17)
InChIKeyALBQUWUGQLFJAU-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.82
Rot. Bonds2

About 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide

6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide (PubChem CID 83033818) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
PubChem CID83033818
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(Cl)nn2)CCO1
InChIInChI=1S/C12H16ClN3O2/c1-12(2)7-8(5-6-18-12)14-11(17)9-3-4-10(13)16-15-9/h3-4,8H,5-7H2,1-2H3,(H,14,17)
InChIKeyALBQUWUGQLFJAU-UHFFFAOYSA-N
XLogP1.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide (CID 83033818) is 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide is CC1(C)CC(NC(=O)c2ccc(Cl)nn2)CCO1.
What is the InChIKey of 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is ALBQUWUGQLFJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-12(2)7-8(5-6-18-12)14-11(17)9-3-4-10(13)16-15-9/h3-4,8H,5-7H2,1-2H3,(H,14,17).
What are the key properties of 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide?
6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-dimethyloxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 83033818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).