[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone

C17H16Cl2N6O — CID 134800603

IUPAC[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)c3nncn3n2)CC1
InChIInChI=1S/C17H16Cl2N6O/c1-23-4-6-24(7-5-23)17(26)15-9-13(16-21-20-10-25(16)22-15)12-3-2-11(18)8-14(12)19/h2-3,8-10H,4-7H2,1H3
InChIKeyFFAJZVYZOHZOCX-UHFFFAOYSA-N
MW391.26 g/mol
LogP2.49
Rot. Bonds2

About [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone

[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134800603) has the molecular formula C17H16Cl2N6O and a molecular weight of 391.26 g/mol. Its IUPAC name is [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134800603
Molecular FormulaC17H16Cl2N6O
Molecular Weight391.26 g/mol
Exact Mass390.08
IUPAC Name[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)c3nncn3n2)CC1
InChIInChI=1S/C17H16Cl2N6O/c1-23-4-6-24(7-5-23)17(26)15-9-13(16-21-20-10-25(16)22-15)12-3-2-11(18)8-14(12)19/h2-3,8-10H,4-7H2,1H3
InChIKeyFFAJZVYZOHZOCX-UHFFFAOYSA-N
XLogP2.49
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(2,4-dichlorophenyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine-6-carboxamide
CID 134797595
[4-[(4-chlorophenoxy)methyl]piperidin-1-yl]-(8-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone
CID 46979339
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 1093829
(5-chloro-2-methylsulfanylphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 51059922
[4-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 134787345
2-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 175852598
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
[5-(2,4-dichlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 1093832
N-(2,5-dichlorophenyl)-6-(4-methylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096766
[4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
CID 134574555
(4-methylpiperazin-1-yl)-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
CID 110384590
(3,5-dichloro-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 45044872

Frequently Asked Questions

What is the IUPAC name of [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone (CID 134800603) is [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)c3nncn3n2)CC1.
What is the InChIKey of [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is FFAJZVYZOHZOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N6O/c1-23-4-6-24(7-5-23)17(26)15-9-13(16-21-20-10-25(16)22-15)12-3-2-11(18)8-14(12)19/h2-3,8-10H,4-7H2,1H3.
What are the key properties of [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone?
[8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 391.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(2,4-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134800603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).