N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide

C20H30N6O — CID 126922651

IUPACN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCC1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C20H30N6O/c1-20(2,3)19-22-21-16-9-10-17(23-26(16)19)25-12-15(13-25)24(4)18(27)11-14-7-5-6-8-14/h9-10,14-15H,5-8,11-13H2,1-4H3
InChIKeyFRKBBUAVCROEED-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.65
Rot. Bonds4

About N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide (PubChem CID 126922651) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide
PubChem CID126922651
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCC1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C20H30N6O/c1-20(2,3)19-22-21-16-9-10-17(23-26(16)19)25-12-15(13-25)24(4)18(27)11-14-7-5-6-8-14/h9-10,14-15H,5-8,11-13H2,1-4H3
InChIKeyFRKBBUAVCROEED-UHFFFAOYSA-N
XLogP2.65
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide?
The IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide (CID 126922651) is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide.
What is the SMILES notation for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide?
The canonical SMILES for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide is CN(C(=O)CC1CCCC1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1.
What is the InChIKey of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide?
The InChIKey is FRKBBUAVCROEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-20(2,3)19-22-21-16-9-10-17(23-26(16)19)25-12-15(13-25)24(4)18(27)11-14-7-5-6-8-14/h9-10,14-15H,5-8,11-13H2,1-4H3.
What are the key properties of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide?
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide has a molecular weight of 370.50 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-cyclopentyl-N-methylacetamide is sourced from PubChem (CID 126922651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).