6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide

C16H15N5O — CID 121114057

IUPAC6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C16H15N5O/c1-12-2-4-13(5-3-12)10-18-16(22)14-6-7-15(20-19-14)21-9-8-17-11-21/h2-9,11H,10H2,1H3,(H,18,22)
InChIKeyFMTWUZPFASFVGK-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.90
Rot. Bonds4

About 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide

6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 121114057) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
PubChem CID121114057
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-n3ccnc3)nn2)cc1
InChIInChI=1S/C16H15N5O/c1-12-2-4-13(5-3-12)10-18-16(22)14-6-7-15(20-19-14)21-9-8-17-11-21/h2-9,11H,10H2,1H3,(H,18,22)
InChIKeyFMTWUZPFASFVGK-UHFFFAOYSA-N
XLogP1.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chlorophenyl)propyl]-6-imidazol-1-ylpyridazine-3-carboxamide
CID 166181539
N-(3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114061
N-(cyclobutylmethyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 51107519
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113150
N-(4-acetylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114037
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111244562
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 71791758
N-[[4-(1-aminoethyl)phenyl]methyl]-6-imidazol-1-ylpyrazine-2-carboxamide
CID 166363145
2-methyl-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 110691373
N-[(4-methylphenyl)methyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109423
6-imidazol-1-yl-N-pyridin-3-ylpyridazine-3-carboxamide
CID 121114046

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide (CID 121114057) is 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(-n3ccnc3)nn2)cc1.
What is the InChIKey of 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is FMTWUZPFASFVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-12-2-4-13(5-3-12)10-18-16(22)14-6-7-15(20-19-14)21-9-8-17-11-21/h2-9,11H,10H2,1H3,(H,18,22).
What are the key properties of 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide?
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121114057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).