6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C10H9ClN6 — CID 66128201

IUPAC6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(-c2nnc3ccc(Cl)nn23)n(C)n1
InChIInChI=1S/C10H9ClN6/c1-6-5-7(16(2)14-6)10-13-12-9-4-3-8(11)15-17(9)10/h3-5H,1-2H3
InChIKeyHWINTDBCQDKKQT-UHFFFAOYSA-N
MW248.68 g/mol
LogP1.49
Rot. Bonds1

About 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 66128201) has the molecular formula C10H9ClN6 and a molecular weight of 248.68 g/mol. Its IUPAC name is 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID66128201
Molecular FormulaC10H9ClN6
Molecular Weight248.68 g/mol
Exact Mass248.06
IUPAC Name6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(-c2nnc3ccc(Cl)nn23)n(C)n1
InChIInChI=1S/C10H9ClN6/c1-6-5-7(16(2)14-6)10-13-12-9-4-3-8(11)15-17(9)10/h3-5H,1-2H3
InChIKeyHWINTDBCQDKKQT-UHFFFAOYSA-N
XLogP1.49
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.68
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-Dimethylpyrazol-1-yl)-3-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 909959
6-(3,5-dimethyl-1H-pyrazol-1-yl)[1,2,4]triazolo[4,3-b]pyridazine
CID 702232
6,8-Dichloro-5-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 165415328
(4R)-6-chloro-2,3-dimethyl-8-(pyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 135217363
3-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)-5-methyl[1,2,4]triazolo[4,3-a]pyridine
CID 39781800
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47054556
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95576390
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95576391
2-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-b]pyridazin-6-amine
CID 146140628
6-Chloro-3-ethyl-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]imidazo[1,2-b]pyridazine
CID 22335108
6-Chloro-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
CID 57418687
6-Chloro-3-ethyl-2-methylimidazo[1,2-b]pyridazine
CID 91129344

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 66128201) is 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(-c2nnc3ccc(Cl)nn23)n(C)n1.
What is the InChIKey of 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HWINTDBCQDKKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6/c1-6-5-7(16(2)14-6)10-13-12-9-4-3-8(11)15-17(9)10/h3-5H,1-2H3.
What are the key properties of 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 248.68 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,5-dimethylpyrazol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 66128201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).