N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

C16H15N5O — CID 121114061

IUPACN-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(-n3ccnc3)nn2)c1
InChIInChI=1S/C16H15N5O/c1-11-7-12(2)9-13(8-11)18-16(22)14-3-4-15(20-19-14)21-6-5-17-10-21/h3-10H,1-2H3,(H,18,22)
InChIKeyQMHCQVCJHPWYBE-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.53
Rot. Bonds3

About N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide

N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 121114061) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
PubChem CID121114061
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc(-n3ccnc3)nn2)c1
InChIInChI=1S/C16H15N5O/c1-11-7-12(2)9-13(8-11)18-16(22)14-3-4-15(20-19-14)21-6-5-17-10-21/h3-10H,1-2H3,(H,18,22)
InChIKeyQMHCQVCJHPWYBE-UHFFFAOYSA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046
N-(3-chloro-4-methoxyphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114186
6-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)pyridazine-3-carboxamide
CID 71791752
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791758
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
N-(4-bromo-2-fluorophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791741
N-(4-fluoro-3-nitrophenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114098
N-(2,3-dimethyl-5-sulfamoylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 154775707
6-imidazol-1-yl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]pyridazine-3-carboxamide
CID 71791757
lithium 4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-methylbenzoate
CID 139434655

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide (CID 121114061) is N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc(-n3ccnc3)nn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
The InChIKey is QMHCQVCJHPWYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-11-7-12(2)9-13(8-11)18-16(22)14-3-4-15(20-19-14)21-6-5-17-10-21/h3-10H,1-2H3,(H,18,22).
What are the key properties of N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide?
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 121114061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).