5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C18H17N5O2 — CID 67976051

IUPAC5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nn1
InChIInChI=1S/C18H17N5O2/c1-13-7-8-17(20-19-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeySRZZPUSUXOLIJK-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.22
Rot. Bonds4

About 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 67976051) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID67976051
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nn1
InChIInChI=1S/C18H17N5O2/c1-13-7-8-17(20-19-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3
InChIKeySRZZPUSUXOLIJK-UHFFFAOYSA-N
XLogP2.22
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 67976051) is 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(N2CCn3nc(COc4ccccc4)cc3C2=O)nn1.
What is the InChIKey of 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is SRZZPUSUXOLIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-13-7-8-17(20-19-13)22-9-10-23-16(18(22)24)11-14(21-23)12-25-15-5-3-2-4-6-15/h2-8,11H,9-10,12H2,1H3.
What are the key properties of 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 335.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methylpyridazin-3-yl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 67976051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).