[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

C18H26N6O2 — CID 133488313

IUPAC[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)(C)c1nnc2ccc(N3CCN(C(=O)C4CCCO4)CC3)nn12
InChIInChI=1S/C18H26N6O2/c1-18(2,3)17-20-19-14-6-7-15(21-24(14)17)22-8-10-23(11-9-22)16(25)13-5-4-12-26-13/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyWHWDCPFZQLJWPF-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.25
Rot. Bonds2

About [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 133488313) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID133488313
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCC(C)(C)c1nnc2ccc(N3CCN(C(=O)C4CCCO4)CC3)nn12
InChIInChI=1S/C18H26N6O2/c1-18(2,3)17-20-19-14-6-7-15(21-24(14)17)22-8-10-23(11-9-22)16(25)13-5-4-12-26-13/h6-7,13H,4-5,8-12H2,1-3H3
InChIKeyWHWDCPFZQLJWPF-UHFFFAOYSA-N
XLogP1.25
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2,3-dimethylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 163352851
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide
CID 134160816
1-[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 133489042
[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 133489340
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122279219
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133489859
[2-(3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxolan-2-yl)methanone
CID 163346802
6-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]pyridazine-3-carboxylic acid
CID 138386441
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 121053900
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide
CID 133492226
[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 53203643

Frequently Asked Questions

What is the IUPAC name of [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 133488313) is [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is CC(C)(C)c1nnc2ccc(N3CCN(C(=O)C4CCCO4)CC3)nn12.
What is the InChIKey of [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is WHWDCPFZQLJWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-18(2,3)17-20-19-14-6-7-15(21-24(14)17)22-8-10-23(11-9-22)16(25)13-5-4-12-26-13/h6-7,13H,4-5,8-12H2,1-3H3.
What are the key properties of [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 358.45 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 133488313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).