6-chloro-N-methylpyridazine-3-carboxamide

C6H6ClN3O — CID 16733787

IUPAC6-chloro-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C6H6ClN3O/c1-8-6(11)4-2-3-5(7)10-9-4/h2-3H,1H3,(H,8,11)
InChIKeyWLHDRODMZTWYPH-UHFFFAOYSA-N
MW171.59 g/mol
LogP0.49
Rot. Bonds1

About 6-chloro-N-methylpyridazine-3-carboxamide

6-chloro-N-methylpyridazine-3-carboxamide (PubChem CID 16733787) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is 6-chloro-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methylpyridazine-3-carboxamide
PubChem CID16733787
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name6-chloro-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(Cl)nn1
InChIInChI=1S/C6H6ClN3O/c1-8-6(11)4-2-3-5(7)10-9-4/h2-3H,1H3,(H,8,11)
InChIKeyWLHDRODMZTWYPH-UHFFFAOYSA-N
XLogP0.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-methylpyridazine-3-carboxamide (CID 16733787) is 6-chloro-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-methylpyridazine-3-carboxamide?
The InChIKey is WLHDRODMZTWYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O/c1-8-6(11)4-2-3-5(7)10-9-4/h2-3H,1H3,(H,8,11).
What are the key properties of 6-chloro-N-methylpyridazine-3-carboxamide?
6-chloro-N-methylpyridazine-3-carboxamide has a molecular weight of 171.59 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 16733787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).