N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H19N7O — CID 154781604

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1noc(C)c1C(C)CNc1ccc2nnc(-c3ccccn3)n2n1
InChIInChI=1S/C18H19N7O/c1-11(17-12(2)24-26-13(17)3)10-20-15-7-8-16-21-22-18(25(16)23-15)14-6-4-5-9-19-14/h4-9,11H,10H2,1-3H3,(H,20,23)
InChIKeyFABGGWAPPQENOZ-UHFFFAOYSA-N
MW349.40 g/mol
LogP3.01
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 154781604) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID154781604
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1noc(C)c1C(C)CNc1ccc2nnc(-c3ccccn3)n2n1
InChIInChI=1S/C18H19N7O/c1-11(17-12(2)24-26-13(17)3)10-20-15-7-8-16-21-22-18(25(16)23-15)14-6-4-5-9-19-14/h4-9,11H,10H2,1-3H3,(H,20,23)
InChIKeyFABGGWAPPQENOZ-UHFFFAOYSA-N
XLogP3.01
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine 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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 154781604) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1noc(C)c1C(C)CNc1ccc2nnc(-c3ccccn3)n2n1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FABGGWAPPQENOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-11(17-12(2)24-26-13(17)3)10-20-15-7-8-16-21-22-18(25(16)23-15)14-6-4-5-9-19-14/h4-9,11H,10H2,1-3H3,(H,20,23).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 349.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 154781604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).