2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline

C23H27N7 — CID 126910588

IUPAC2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCC(c2nnc3ccc(C(C)(C)C)nn23)CC1
InChIInChI=1S/C23H27N7/c1-15-21(25-18-8-6-5-7-17(18)24-15)29-13-11-16(12-14-29)22-27-26-20-10-9-19(23(2,3)4)28-30(20)22/h5-10,16H,11-14H2,1-4H3
InChIKeyGSMAMYUNEUKZQY-UHFFFAOYSA-N
MW401.52 g/mol
LogP4.06
Rot. Bonds2

About 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline

2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline (PubChem CID 126910588) has the molecular formula C23H27N7 and a molecular weight of 401.52 g/mol. Its IUPAC name is 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline
PubChem CID126910588
Molecular FormulaC23H27N7
Molecular Weight401.52 g/mol
Exact Mass401.23
IUPAC Name2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1N1CCC(c2nnc3ccc(C(C)(C)C)nn23)CC1
InChIInChI=1S/C23H27N7/c1-15-21(25-18-8-6-5-7-17(18)24-15)29-13-11-16(12-14-29)22-27-26-20-10-9-19(23(2,3)4)28-30(20)22/h5-10,16H,11-14H2,1-4H3
InChIKeyGSMAMYUNEUKZQY-UHFFFAOYSA-N
XLogP4.06
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline with MolForge

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Related Compounds

4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 126910867
6-tert-butyl-3-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910547
6-tert-butyl-3-(1-pyrazin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910534
6-tert-butyl-3-[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910564
4-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 126910785
5-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 126910795
6-tert-butyl-3-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910574
6-tert-butyl-3-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910669
[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126910484
N,N-dimethyl-3-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912034
5-[[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126910725
6-tert-butyl-3-[1-(oxolan-3-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126910582

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline?
The IUPAC name of 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline (CID 126910588) is 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline.
What is the SMILES notation for 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline?
The canonical SMILES for 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline is Cc1nc2ccccc2nc1N1CCC(c2nnc3ccc(C(C)(C)C)nn23)CC1.
What is the InChIKey of 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline?
The InChIKey is GSMAMYUNEUKZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7/c1-15-21(25-18-8-6-5-7-17(18)24-15)29-13-11-16(12-14-29)22-27-26-20-10-9-19(23(2,3)4)28-30(20)22/h5-10,16H,11-14H2,1-4H3.
What are the key properties of 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline?
2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline has a molecular weight of 401.52 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]-3-methylquinoxaline is sourced from PubChem (CID 126910588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).