4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

C12H17N5O — CID 39335381

IUPAC4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESCC(C)c1nnc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C12H17N5O/c1-9(2)12-14-13-10-3-4-11(15-17(10)12)16-5-7-18-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyQWBQKJYZSXYWLV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.08
Rot. Bonds2

About 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine

4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (PubChem CID 39335381) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.

Molecular Properties

Compound Name4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
PubChem CID39335381
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine
SMILESCC(C)c1nnc2ccc(N3CCOCC3)nn12
InChIInChI=1S/C12H17N5O/c1-9(2)12-14-13-10-3-4-11(15-17(10)12)16-5-7-18-8-6-16/h3-4,9H,5-8H2,1-2H3
InChIKeyQWBQKJYZSXYWLV-UHFFFAOYSA-N
XLogP1.08
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The IUPAC name of 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine (CID 39335381) is 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine.
What is the SMILES notation for 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The canonical SMILES for 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is CC(C)c1nnc2ccc(N3CCOCC3)nn12.
What is the InChIKey of 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
The InChIKey is QWBQKJYZSXYWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(2)12-14-13-10-3-4-11(15-17(10)12)16-5-7-18-8-6-16/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine?
4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine has a molecular weight of 247.30 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)morpholine is sourced from PubChem (CID 39335381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).