N-tert-butyl-6-phenylpyridazine-3-carboxamide

C15H17N3O — CID 113200586

IUPACN-tert-butyl-6-phenylpyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H17N3O/c1-15(2,3)16-14(19)13-10-9-12(17-18-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,19)
InChIKeyXWZLPMIJYUTUGN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.67
Rot. Bonds2

About N-tert-butyl-6-phenylpyridazine-3-carboxamide

N-tert-butyl-6-phenylpyridazine-3-carboxamide (PubChem CID 113200586) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-tert-butyl-6-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-phenylpyridazine-3-carboxamide
PubChem CID113200586
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-tert-butyl-6-phenylpyridazine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C15H17N3O/c1-15(2,3)16-14(19)13-10-9-12(17-18-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,19)
InChIKeyXWZLPMIJYUTUGN-UHFFFAOYSA-N
XLogP2.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
N-cyclopropyl-6-phenylpyridazine-3-carboxamide
CID 113200511
N-tert-butyl-6-(methylamino)pyridazine-3-carboxamide
CID 62173045
N-(2-fluorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200620
N-(2,3-dimethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200610
N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716804
N-(4-ethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200612
N-cyclohexyl-6-phenylpyridazine-3-carboxamide
CID 113200519
N-(2,3-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200687
N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
CID 113200658
N-(2,4-dichlorophenyl)-6-phenylpyridazine-3-carboxamide
CID 113200683
N-tert-butyl-6-[4-[(1S)-1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]pyridazine-3-carboxamide
CID 67019726

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-phenylpyridazine-3-carboxamide?
The IUPAC name of N-tert-butyl-6-phenylpyridazine-3-carboxamide (CID 113200586) is N-tert-butyl-6-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-phenylpyridazine-3-carboxamide is CC(C)(C)NC(=O)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of N-tert-butyl-6-phenylpyridazine-3-carboxamide?
The InChIKey is XWZLPMIJYUTUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2,3)16-14(19)13-10-9-12(17-18-13)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,19).
What are the key properties of N-tert-butyl-6-phenylpyridazine-3-carboxamide?
N-tert-butyl-6-phenylpyridazine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 113200586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).