5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane

C14H16N4O — CID 90803666

IUPAC5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane
SMILESCC.O=c1cc2[nH]ncc2nn1Cc1ccccc1
InChIInChI=1S/C12H10N4O.C2H6/c17-12-6-10-11(7-13-14-10)15-16(12)8-9-4-2-1-3-5-9;1-2/h1-7,14H,8H2;1-2H3
InChIKeyHKWLWWWCXXOVQP-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.19
Rot. Bonds2

About 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane

5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane (PubChem CID 90803666) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane.

Molecular Properties

Compound Name5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane
PubChem CID90803666
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane
SMILESCC.O=c1cc2[nH]ncc2nn1Cc1ccccc1
InChIInChI=1S/C12H10N4O.C2H6/c17-12-6-10-11(7-13-14-10)15-16(12)8-9-4-2-1-3-5-9;1-2/h1-7,14H,8H2;1-2H3
InChIKeyHKWLWWWCXXOVQP-UHFFFAOYSA-N
XLogP2.19
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-5-phenylpyridazin-3-one
CID 71418083
2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253672
2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 7672212
1-benzyl-2-methyl-6H-pyrrolo[2,3-d]pyridazin-7-one
CID 19437775
2-benzyl-5-methyl-1H-pyrazol-3-one;ethane
CID 143774667
1-(1-benzyl-5-methylpyrazol-3-yl)ethanone
CID 91343966
ethyl 1-benzyl-6-oxopyridazine-4-carboxylate
CID 118938057
2-benzyl-5H-chromeno[4,3-c]pyridazin-3-one
CID 166336833
2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one
CID 25098843
2-benzyl-6-methoxy-4-methylpyridazin-3-one
CID 91168973
2-benzyl-3-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine
CID 98009854
1-benzyl-5-methylpyrazole-3-carbonitrile
CID 66958933

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane?
The IUPAC name of 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane (CID 90803666) is 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane.
What is the SMILES notation for 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane?
The canonical SMILES for 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane is CC.O=c1cc2[nH]ncc2nn1Cc1ccccc1.
What is the InChIKey of 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane?
The InChIKey is HKWLWWWCXXOVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O.C2H6/c17-12-6-10-11(7-13-14-10)15-16(12)8-9-4-2-1-3-5-9;1-2/h1-7,14H,8H2;1-2H3.
What are the key properties of 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane?
5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane has a molecular weight of 256.31 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1H-pyrazolo[4,3-c]pyridazin-6-one;ethane is sourced from PubChem (CID 90803666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).