6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C18H22N6O — CID 176504605

IUPAC6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1cc(N2CCN(c3ccc(OC)cc3)CC2)c2nncn2n1
InChIInChI=1S/C18H22N6O/c1-3-14-12-17(18-20-19-13-24(18)21-14)23-10-8-22(9-11-23)15-4-6-16(25-2)7-5-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyJRTGHXYQYLSFKV-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.02
Rot. Bonds4

About 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 176504605) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID176504605
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1cc(N2CCN(c3ccc(OC)cc3)CC2)c2nncn2n1
InChIInChI=1S/C18H22N6O/c1-3-14-12-17(18-20-19-13-24(18)21-14)23-10-8-22(9-11-23)15-4-6-16(25-2)7-5-15/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyJRTGHXYQYLSFKV-UHFFFAOYSA-N
XLogP2.02
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[3,4-a]phthalazine
CID 35338056
8-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176506081
8-(4-ethylpiperazin-1-yl)-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 39861282
1-(4-methoxyphenyl)-4-sulfanylpiperazine;propane
CID 142914389
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
2-N,2-N,4-N,4-N-tetraethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
CID 4296013
6-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121064411
1-(4-methoxyphenyl)piperidine
CID 10130315
4-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzene-1,2-diamine
CID 11461237
[1-(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 176501282
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
3-ethyl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-5-methyl-1,3,4-thiadiazol-2-imine
CID 15125473

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 176504605) is 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CCc1cc(N2CCN(c3ccc(OC)cc3)CC2)c2nncn2n1.
What is the InChIKey of 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JRTGHXYQYLSFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-3-14-12-17(18-20-19-13-24(18)21-14)23-10-8-22(9-11-23)15-4-6-16(25-2)7-5-15/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 338.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-[4-(4-methoxyphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 176504605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).