N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide

C12H12N4O — CID 104669036

IUPACN-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccnnc1
InChIInChI=1S/C12H12N4O/c1-8-2-3-10(13)6-11(8)16-12(17)9-4-5-14-15-7-9/h2-7H,13H2,1H3,(H,16,17)
InChIKeyHRAWMRBQFYYDKM-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.62
Rot. Bonds2

About N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide

N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide (PubChem CID 104669036) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
PubChem CID104669036
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-(5-amino-2-methylphenyl)pyridazine-4-carboxamide
SMILESCc1ccc(N)cc1NC(=O)c1ccnnc1
InChIInChI=1S/C12H12N4O/c1-8-2-3-10(13)6-11(8)16-12(17)9-4-5-14-15-7-9/h2-7H,13H2,1H3,(H,16,17)
InChIKeyHRAWMRBQFYYDKM-UHFFFAOYSA-N
XLogP1.62
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-5-chloro-2-methylphenyl)pyridazine-4-carboxamide
CID 113439119
N-(5-amino-2-bromo-4-methylphenyl)pyridazine-4-carboxamide
CID 113456213
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(5-amino-2-methylphenyl)thiophene-3-carboxamide
CID 16775511
3-methyl-4-(pyridazine-4-carbonylamino)benzoic acid
CID 113352863
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-(4-bromo-3,5-dimethylphenyl)pyridazine-4-carboxamide
CID 106491133

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide?
The IUPAC name of N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide (CID 104669036) is N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide is Cc1ccc(N)cc1NC(=O)c1ccnnc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide?
The InChIKey is HRAWMRBQFYYDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-2-3-10(13)6-11(8)16-12(17)9-4-5-14-15-7-9/h2-7H,13H2,1H3,(H,16,17).
What are the key properties of N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide?
N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide has a molecular weight of 228.25 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 104669036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).