2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline

C11H8ClN5 — CID 107050425

IUPAC2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
SMILESNc1c(Cl)cccc1-c1nnc2cccnn12
InChIInChI=1S/C11H8ClN5/c12-8-4-1-3-7(10(8)13)11-16-15-9-5-2-6-14-17(9)11/h1-6H,13H2
InChIKeyKVXRDAYFGOIIBU-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.03
Rot. Bonds1

About 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline

2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline (PubChem CID 107050425) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline.

Molecular Properties

Compound Name2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
PubChem CID107050425
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
SMILESNc1c(Cl)cccc1-c1nnc2cccnn12
InChIInChI=1S/C11H8ClN5/c12-8-4-1-3-7(10(8)13)11-16-15-9-5-2-6-14-17(9)11/h1-6H,13H2
InChIKeyKVXRDAYFGOIIBU-UHFFFAOYSA-N
XLogP2.03
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 103294077
4-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 103294035
5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzene-1,3-diamine
CID 114003761
4-methyl-5-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,3-thiazol-2-amine
CID 103293858
2-chloro-6-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)aniline
CID 107050381
2-chloro-6-(1-propan-2-yltetrazol-5-yl)aniline
CID 115547874
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 63724464
2-chloro-6-[1-(2,6-dibromophenyl)tetrazol-5-yl]aniline
CID 107603020
2-nitro-4-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 103293855
[1,2,4]triazolo[4,3-b]pyridazine-3-carboxamide
CID 12606980
3-chloro-2-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline
CID 63724977
2-chloro-6-[1-(4-chloro-3-fluorophenyl)tetrazol-5-yl]aniline
CID 115547966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
The IUPAC name of 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline (CID 107050425) is 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline.
What is the SMILES notation for 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
The canonical SMILES for 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline is Nc1c(Cl)cccc1-c1nnc2cccnn12.
What is the InChIKey of 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
The InChIKey is KVXRDAYFGOIIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-8-4-1-3-7(10(8)13)11-16-15-9-5-2-6-14-17(9)11/h1-6H,13H2.
What are the key properties of 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline?
2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline has a molecular weight of 245.67 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)aniline is sourced from PubChem (CID 107050425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).