N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine

C17H18N6O4 — CID 126842793

IUPACN-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine
SMILESCOc1ccc(OC)c(Nc2ccc(-n3nc(C)c([N+](=O)[O-])c3C)nn2)c1
InChIInChI=1S/C17H18N6O4/c1-10-17(23(24)25)11(2)22(21-10)16-8-7-15(19-20-16)18-13-9-12(26-3)5-6-14(13)27-4/h5-9H,1-4H3,(H,18,19)
InChIKeyLXDQVAPXUZWXLF-UHFFFAOYSA-N
MW370.37 g/mol
LogP2.95
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine

N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine (PubChem CID 126842793) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine
PubChem CID126842793
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC NameN-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine
SMILESCOc1ccc(OC)c(Nc2ccc(-n3nc(C)c([N+](=O)[O-])c3C)nn2)c1
InChIInChI=1S/C17H18N6O4/c1-10-17(23(24)25)11(2)22(21-10)16-8-7-15(19-20-16)18-13-9-12(26-3)5-6-14(13)27-4/h5-9H,1-4H3,(H,18,19)
InChIKeyLXDQVAPXUZWXLF-UHFFFAOYSA-N
XLogP2.95
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine (CID 126842793) is N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine is COc1ccc(OC)c(Nc2ccc(-n3nc(C)c([N+](=O)[O-])c3C)nn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine?
The InChIKey is LXDQVAPXUZWXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4/c1-10-17(23(24)25)11(2)22(21-10)16-8-7-15(19-20-16)18-13-9-12(26-3)5-6-14(13)27-4/h5-9H,1-4H3,(H,18,19).
What are the key properties of N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine?
N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine has a molecular weight of 370.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-6-(3,5-dimethyl-4-nitropyrazol-1-yl)pyridazin-3-amine is sourced from PubChem (CID 126842793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).