6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine

C7H7ClN6O2 — CID 12913096

IUPAC6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine
SMILESCCc1nnc2c([N+](=O)[O-])c(N)c(Cl)nn12
InChIInChI=1S/C7H7ClN6O2/c1-2-3-10-11-7-5(14(15)16)4(9)6(8)12-13(3)7/h2,9H2,1H3
InChIKeyVYSTYZFQYQLLAO-UHFFFAOYSA-N
MW242.63 g/mol
LogP0.83
Rot. Bonds2

About 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine

6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine (PubChem CID 12913096) has the molecular formula C7H7ClN6O2 and a molecular weight of 242.63 g/mol. Its IUPAC name is 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine.

Molecular Properties

Compound Name6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine
PubChem CID12913096
Molecular FormulaC7H7ClN6O2
Molecular Weight242.63 g/mol
Exact Mass242.03
IUPAC Name6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine
SMILESCCc1nnc2c([N+](=O)[O-])c(N)c(Cl)nn12
InChIInChI=1S/C7H7ClN6O2/c1-2-3-10-11-7-5(14(15)16)4(9)6(8)12-13(3)7/h2,9H2,1H3
InChIKeyVYSTYZFQYQLLAO-UHFFFAOYSA-N
XLogP0.83
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.63
LogP ≤ 50.83
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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Related Compounds

2-chloro-6-ethyl-5-nitropyrimidin-4-amine
CID 131272646
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CID 153449623
7-chloro-5-fluoro-1-methyl-4-nitrobenzotriazole
CID 54454224
2-chloro-3-N,3-N-diethyl-4,6-dinitrobenzene-1,3,5-triamine
CID 20509646
2,4-dichloro-5-ethyl-3-nitropyridine
CID 112757232
5-chloro-3-ethyl-1-(3-methylbutyl)-4-nitropyrazole
CID 66020170
2,3,5,6-tetranitrobenzene-1,4-diamine
CID 14921108
7,8-dinitro-3-(2H-tetrazol-5-yl)pyrazolo[5,1-c][1,2,4]triazin-4-amine
CID 175847416
3-chloro-1-ethylpyrazole-4,5-diamine
CID 66769875
8-chloro-3-methyl-6-nitro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 13255931
3-ethyl-1,5-dimethyl-4-nitropyrazole
CID 89037224
2,6-dimethyl-5-nitropyridine-3,4-diamine
CID 18715461

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine?
The IUPAC name of 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine (CID 12913096) is 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine.
What is the SMILES notation for 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine?
The canonical SMILES for 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine is CCc1nnc2c([N+](=O)[O-])c(N)c(Cl)nn12.
What is the InChIKey of 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine?
The InChIKey is VYSTYZFQYQLLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6O2/c1-2-3-10-11-7-5(14(15)16)4(9)6(8)12-13(3)7/h2,9H2,1H3.
What are the key properties of 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine?
6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine has a molecular weight of 242.63 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-8-nitro-[1,2,4]triazolo[4,3-b]pyridazin-7-amine is sourced from PubChem (CID 12913096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).