6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C9H10ClN5O2 — CID 22744168

IUPAC6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2cc(N3CCOCC3)c(Cl)nn12
InChIInChI=1S/C9H10ClN5O2/c10-8-6(14-1-3-17-4-2-14)5-7-11-12-9(16)15(7)13-8/h5H,1-4H2,(H,12,16)
InChIKeyNXKGFOMUOFNBSO-UHFFFAOYSA-N
MW255.66 g/mol
LogP-0.09
Rot. Bonds1

About 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 22744168) has the molecular formula C9H10ClN5O2 and a molecular weight of 255.66 g/mol. Its IUPAC name is 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID22744168
Molecular FormulaC9H10ClN5O2
Molecular Weight255.66 g/mol
Exact Mass255.05
IUPAC Name6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2cc(N3CCOCC3)c(Cl)nn12
InChIInChI=1S/C9H10ClN5O2/c10-8-6(14-1-3-17-4-2-14)5-7-11-12-9(16)15(7)13-8/h5H,1-4H2,(H,12,16)
InChIKeyNXKGFOMUOFNBSO-UHFFFAOYSA-N
XLogP-0.09
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 83025781
3-(3-chloro-4-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117492632
5-morpholin-4-yl-6-oxo-1H-pyridazine-3-carbonitrile
CID 146553770
4-morpholin-4-yl-3-phenyl-1H-pyridazin-6-one
CID 3770299
5-morpholin-4-yl-1H-pyridazin-6-one;hydrochloride
CID 175809424
4,5-dimorpholin-4-yl-1H-pyridazin-6-one
CID 161394911
5-amino-3-(3-methyl-4-morpholin-4-ylanilino)-1H-pyrazole-4-carboxamide
CID 121410169
4-chloro-3-morpholin-4-yl-1H-pyrazole-5-carboxylic acid
CID 83868980
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137130492
3-(2-morpholin-4-ylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117435513
2-amino-1-(3-chloro-4-morpholin-4-ylphenyl)ethanone
CID 117390089
8-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 50928582

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 22744168) is 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2cc(N3CCOCC3)c(Cl)nn12.
What is the InChIKey of 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is NXKGFOMUOFNBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O2/c10-8-6(14-1-3-17-4-2-14)5-7-11-12-9(16)15(7)13-8/h5H,1-4H2,(H,12,16).
What are the key properties of 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 255.66 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-morpholin-4-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 22744168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).