6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine

C17H18N6O2 — CID 126842788

IUPAC6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine
SMILESCc1cc(C)cc(Nc2ccc(-n3nc(C)c([N+](=O)[O-])c3C)nn2)c1
InChIInChI=1S/C17H18N6O2/c1-10-7-11(2)9-14(8-10)18-15-5-6-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
InChIKeySVNYCQNNPVRBHU-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.55
Rot. Bonds4

About 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine

6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine (PubChem CID 126842788) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine
PubChem CID126842788
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine
SMILESCc1cc(C)cc(Nc2ccc(-n3nc(C)c([N+](=O)[O-])c3C)nn2)c1
InChIInChI=1S/C17H18N6O2/c1-10-7-11(2)9-14(8-10)18-15-5-6-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19)
InChIKeySVNYCQNNPVRBHU-UHFFFAOYSA-N
XLogP3.55
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine (CID 126842788) is 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine is Cc1cc(C)cc(Nc2ccc(-n3nc(C)c([N+](=O)[O-])c3C)nn2)c1.
What is the InChIKey of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine?
The InChIKey is SVNYCQNNPVRBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-7-11(2)9-14(8-10)18-15-5-6-16(20-19-15)22-13(4)17(23(24)25)12(3)21-22/h5-9H,1-4H3,(H,18,19).
What are the key properties of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine?
6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine has a molecular weight of 338.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3,5-dimethylphenyl)pyridazin-3-amine is sourced from PubChem (CID 126842788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).