6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

C19H11N5O3S — CID 133493391

IUPAC6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESO=[N+]([O-])c1ccc(Oc2ccc3nnc(-c4ccsc4)n3n2)c2ccccc12
InChIInChI=1S/C19H11N5O3S/c25-24(26)15-5-6-16(14-4-2-1-3-13(14)15)27-18-8-7-17-20-21-19(23(17)22-18)12-9-10-28-11-12/h1-11H
InChIKeyCRKJNDWLFICHHE-UHFFFAOYSA-N
MW389.40 g/mol
LogP4.71
Rot. Bonds4

About 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133493391) has the molecular formula C19H11N5O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133493391
Molecular FormulaC19H11N5O3S
Molecular Weight389.40 g/mol
Exact Mass389.06
IUPAC Name6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESO=[N+]([O-])c1ccc(Oc2ccc3nnc(-c4ccsc4)n3n2)c2ccccc12
InChIInChI=1S/C19H11N5O3S/c25-24(26)15-5-6-16(14-4-2-1-3-13(14)15)27-18-8-7-17-20-21-19(23(17)22-18)12-9-10-28-11-12/h1-11H
InChIKeyCRKJNDWLFICHHE-UHFFFAOYSA-N
XLogP4.71
TPSA95.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 54.71
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'}

Analyze 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy]chromen-2-one
CID 133488185
6-[4-(4-nitrophenyl)piperazin-1-yl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488193
7-nitro-2-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 133493317
N-methyl-N-(1-oxothian-4-yl)-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133492366
5-methyl-1-[(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-[1,2,4]triazolo[4,3-a]quinoline
CID 133488179
2,3-bis[(4-nitronaphthalen-1-yl)oxy]anthracene
CID 170552339
[6-(4-nitronaphthalen-1-yl)oxypyrimidin-4-yl]carbamic acid
CID 91273093
N-benzyl-2-[4-(3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 133489045
3-(difluoromethyl)-6-(3-methyl-4-nitrophenoxy)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133426050
1-(3-chloropropoxy)-4-nitronaphthalene
CID 63690142
4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine
CID 58532562
N-[[4-(methoxymethyl)phenyl]methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489560

Frequently Asked Questions

What is the IUPAC name of 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 133493391) is 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is O=[N+]([O-])c1ccc(Oc2ccc3nnc(-c4ccsc4)n3n2)c2ccccc12.
What is the InChIKey of 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CRKJNDWLFICHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N5O3S/c25-24(26)15-5-6-16(14-4-2-1-3-13(14)15)27-18-8-7-17-20-21-19(23(17)22-18)12-9-10-28-11-12/h1-11H.
What are the key properties of 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 389.40 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-nitronaphthalen-1-yl)oxy-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133493391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).