N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide

C15H16Cl2N4O — CID 109124934

IUPACN-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H16Cl2N4O/c1-15(2,3)19-14(22)12-6-7-13(21-20-12)18-9-4-5-10(16)11(17)8-9/h4-8H,1-3H3,(H,18,21)(H,19,22)
InChIKeyIBRMUPZEKVYMCM-UHFFFAOYSA-N
MW339.23 g/mol
LogP4.06
Rot. Bonds3

About N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide

N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide (PubChem CID 109124934) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
PubChem CID109124934
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC NameN-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H16Cl2N4O/c1-15(2,3)19-14(22)12-6-7-13(21-20-12)18-9-4-5-10(16)11(17)8-9/h4-8H,1-3H3,(H,18,21)(H,19,22)
InChIKeyIBRMUPZEKVYMCM-UHFFFAOYSA-N
XLogP4.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-(4-methylanilino)pyridazine-3-carboxamide
CID 109124849
N-tert-butyl-6-(3-methylanilino)pyridazine-3-carboxamide
CID 109124848
6-(3-bromoanilino)-N-tert-butylpyridazine-3-carboxamide
CID 109124920
N-butan-2-yl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide
CID 109111709
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
N-tert-butyl-6-(methylamino)pyridazine-3-carboxamide
CID 62173045
N-tert-butyl-6-(2,6-dimethylanilino)pyridazine-3-carboxamide
CID 109124857
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide
CID 167773043
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-tert-butyl-6-[4-chloro-3-(trifluoromethyl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109373874

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide (CID 109124934) is N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(Nc2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide?
The InChIKey is IBRMUPZEKVYMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-15(2,3)19-14(22)12-6-7-13(21-20-12)18-9-4-5-10(16)11(17)8-9/h4-8H,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide?
N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(3,4-dichloroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109124934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).