N-benzyl-6-chloropyridazine-3-carboxamide

C12H10ClN3O — CID 60859188

IUPACN-benzyl-6-chloropyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(Cl)nn1
InChIInChI=1S/C12H10ClN3O/c13-11-7-6-10(15-16-11)12(17)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)
InChIKeyVDIACUWJSJWSQJ-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.06
Rot. Bonds3

About N-benzyl-6-chloropyridazine-3-carboxamide

N-benzyl-6-chloropyridazine-3-carboxamide (PubChem CID 60859188) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-benzyl-6-chloropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-chloropyridazine-3-carboxamide
PubChem CID60859188
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-benzyl-6-chloropyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(Cl)nn1
InChIInChI=1S/C12H10ClN3O/c13-11-7-6-10(15-16-11)12(17)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17)
InChIKeyVDIACUWJSJWSQJ-UHFFFAOYSA-N
XLogP2.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-chloropyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-chloropyridazine-3-carboxamide (CID 60859188) is N-benzyl-6-chloropyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-chloropyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-chloropyridazine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(Cl)nn1.
What is the InChIKey of N-benzyl-6-chloropyridazine-3-carboxamide?
The InChIKey is VDIACUWJSJWSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-11-7-6-10(15-16-11)12(17)14-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,14,17).
What are the key properties of N-benzyl-6-chloropyridazine-3-carboxamide?
N-benzyl-6-chloropyridazine-3-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-chloropyridazine-3-carboxamide is sourced from PubChem (CID 60859188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).