6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C10H11N7O — CID 66284402

IUPAC6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCn1nccc1CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H11N7O/c1-16-7(4-5-12-16)6-11-8-2-3-9-13-14-10(18)17(9)15-8/h2-5H,6H2,1H3,(H,11,15)(H,14,18)
InChIKeyCKCCKIRCBSTBTR-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.24
Rot. Bonds3

About 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66284402) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66284402
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCn1nccc1CNc1ccc2n[nH]c(=O)n2n1
InChIInChI=1S/C10H11N7O/c1-16-7(4-5-12-16)6-11-8-2-3-9-13-14-10(18)17(9)15-8/h2-5H,6H2,1H3,(H,11,15)(H,14,18)
InChIKeyCKCCKIRCBSTBTR-UHFFFAOYSA-N
XLogP-0.24
TPSA92.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2-hydroxy-2-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282449
N-[2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]methanesulfonamide
CID 66283992
6-[2-[ethyl(methyl)amino]ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282443
6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283629
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494313
2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 103755915
6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113255968
6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283792
6-(3-aminopentylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113498110
6-[2-(2-methoxyethoxy)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282248
6-(3-morpholin-4-ylpropylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282429
6-(3,3-dimethylbutan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113457873

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66284402) is 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cn1nccc1CNc1ccc2n[nH]c(=O)n2n1.
What is the InChIKey of 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is CKCCKIRCBSTBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c1-16-7(4-5-12-16)6-11-8-2-3-9-13-14-10(18)17(9)15-8/h2-5H,6H2,1H3,(H,11,15)(H,14,18).
What are the key properties of 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 245.25 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpyrazol-3-yl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66284402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).