3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine

C9H5N7O2 — CID 10610227

IUPAC3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine
SMILESO=[N+]([O-])c1cccnc1-n1nnc2ccnnc21
InChIInChI=1S/C9H5N7O2/c17-16(18)7-2-1-4-10-9(7)15-8-6(12-14-15)3-5-11-13-8/h1-5H
InChIKeyXCQNIZBLADZOSG-UHFFFAOYSA-N
MW243.19 g/mol
LogP0.51
Rot. Bonds2

About 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine

3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine (PubChem CID 10610227) has the molecular formula C9H5N7O2 and a molecular weight of 243.19 g/mol. Its IUPAC name is 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine.

Molecular Properties

Compound Name3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine
PubChem CID10610227
Molecular FormulaC9H5N7O2
Molecular Weight243.19 g/mol
Exact Mass243.05
IUPAC Name3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine
SMILESO=[N+]([O-])c1cccnc1-n1nnc2ccnnc21
InChIInChI=1S/C9H5N7O2/c17-16(18)7-2-1-4-10-9(7)15-8-6(12-14-15)3-5-11-13-8/h1-5H
InChIKeyXCQNIZBLADZOSG-UHFFFAOYSA-N
XLogP0.51
TPSA112.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Related Compounds

2-(2-methylaziridin-1-yl)-3-nitropyridine
CID 10921096
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999
1-(3-nitro-2-pyridinyl)piperidine-4-carbonitrile
CID 2806149
methyl-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]borinic acid
CID 20763912
2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
CID 86811016
3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12661217
2-[4-(diphenylphosphorylmethyl)triazol-1-yl]-3-nitropyridine
CID 139228993
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
CID 49430968
1-(2-methylpropyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 165448313
1-(bromomethylsulfonyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 83084840
3-nitro-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 75397524
1-[1-(3-nitro-2-pyridinyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79310369

Frequently Asked Questions

What is the IUPAC name of 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine?
The IUPAC name of 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine (CID 10610227) is 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine.
What is the SMILES notation for 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine?
The canonical SMILES for 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine is O=[N+]([O-])c1cccnc1-n1nnc2ccnnc21.
What is the InChIKey of 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine?
The InChIKey is XCQNIZBLADZOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N7O2/c17-16(18)7-2-1-4-10-9(7)15-8-6(12-14-15)3-5-11-13-8/h1-5H.
What are the key properties of 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine?
3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine has a molecular weight of 243.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitro-2-pyridinyl)triazolo[4,5-c]pyridazine is sourced from PubChem (CID 10610227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).