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

C19H28N6O2 — CID 134160816

IUPACN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide
SMILESCN(C(=O)C1CCCCO1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C19H28N6O2/c1-19(2,3)18-21-20-15-8-9-16(22-25(15)18)24-11-13(12-24)23(4)17(26)14-7-5-6-10-27-14/h8-9,13-14H,5-7,10-12H2,1-4H3
InChIKeyIDIVMJGAYQGQGP-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.64
Rot. Bonds3

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

N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide (PubChem CID 134160816) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide
PubChem CID134160816
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide
SMILESCN(C(=O)C1CCCCO1)C1CN(c2ccc3nnc(C(C)(C)C)n3n2)C1
InChIInChI=1S/C19H28N6O2/c1-19(2,3)18-21-20-15-8-9-16(22-25(15)18)24-11-13(12-24)23(4)17(26)14-7-5-6-10-27-14/h8-9,13-14H,5-7,10-12H2,1-4H3
InChIKeyIDIVMJGAYQGQGP-UHFFFAOYSA-N
XLogP1.64
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-N-methyloxane-2-carboxamide?
The IUPAC name of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide (CID 134160816) is N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide.
What is the SMILES notation for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide?
The canonical SMILES for N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide is CN(C(=O)C1CCCCO1)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]-N-methyloxane-2-carboxamide?
The InChIKey is IDIVMJGAYQGQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-19(2,3)18-21-20-15-8-9-16(22-25(15)18)24-11-13(12-24)23(4)17(26)14-7-5-6-10-27-14/h8-9,13-14H,5-7,10-12H2,1-4H3.
What are the key properties of N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide?
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-N-methyloxane-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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]-N-methyloxane-2-carboxamide is sourced from PubChem (CID 134160816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).