morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone

C10H11N5O2 — CID 12606981

IUPACmorpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone
SMILESO=C(c1nnc2cccnn12)N1CCOCC1
InChIInChI=1S/C10H11N5O2/c16-10(14-4-6-17-7-5-14)9-13-12-8-2-1-3-11-15(8)9/h1-3H,4-7H2
InChIKeyBLLRPONTCYIJPM-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.40
Rot. Bonds1

About morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone

morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone (PubChem CID 12606981) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone
PubChem CID12606981
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Namemorpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone
SMILESO=C(c1nnc2cccnn12)N1CCOCC1
InChIInChI=1S/C10H11N5O2/c16-10(14-4-6-17-7-5-14)9-13-12-8-2-1-3-11-15(8)9/h1-3H,4-7H2
InChIKeyBLLRPONTCYIJPM-UHFFFAOYSA-N
XLogP-0.40
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone?
The IUPAC name of morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone (CID 12606981) is morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone?
The canonical SMILES for morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone is O=C(c1nnc2cccnn12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone?
The InChIKey is BLLRPONTCYIJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c16-10(14-4-6-17-7-5-14)9-13-12-8-2-1-3-11-15(8)9/h1-3H,4-7H2.
What are the key properties of morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone?
morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone has a molecular weight of 233.23 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl([1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanone is sourced from PubChem (CID 12606981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).