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

C15H13N7O4 — CID 126842794

IUPAC6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine
SMILESCc1nn(-c2ccc(Nc3ccc([N+](=O)[O-])cc3)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H13N7O4/c1-9-15(22(25)26)10(2)20(19-9)14-8-7-13(17-18-14)16-11-3-5-12(6-4-11)21(23)24/h3-8H,1-2H3,(H,16,17)
InChIKeyHOIZVNDNMLVVNS-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.84
Rot. Bonds5

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

6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine (PubChem CID 126842794) has the molecular formula C15H13N7O4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine
PubChem CID126842794
Molecular FormulaC15H13N7O4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine
SMILESCc1nn(-c2ccc(Nc3ccc([N+](=O)[O-])cc3)nn2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H13N7O4/c1-9-15(22(25)26)10(2)20(19-9)14-8-7-13(17-18-14)16-11-3-5-12(6-4-11)21(23)24/h3-8H,1-2H3,(H,16,17)
InChIKeyHOIZVNDNMLVVNS-UHFFFAOYSA-N
XLogP2.84
TPSA141.91 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.84
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 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine?
The IUPAC name of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine (CID 126842794) is 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine?
The canonical SMILES for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine is Cc1nn(-c2ccc(Nc3ccc([N+](=O)[O-])cc3)nn2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine?
The InChIKey is HOIZVNDNMLVVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O4/c1-9-15(22(25)26)10(2)20(19-9)14-8-7-13(17-18-14)16-11-3-5-12(6-4-11)21(23)24/h3-8H,1-2H3,(H,16,17).
What are the key properties of 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine?
6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine has a molecular weight of 355.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-nitrophenyl)pyridazin-3-amine is sourced from PubChem (CID 126842794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).