[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone

C20H20N4O — CID 56699157

IUPAC[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C20H20N4O/c1-15-6-9-19(22-21-15)23-10-12-24(13-11-23)20(25)18-8-7-16-4-2-3-5-17(16)14-18/h2-9,14H,10-13H2,1H3
InChIKeyHTCXKYMNYUKZHL-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.90
Rot. Bonds2

About [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone

[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 56699157) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID56699157
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESCc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1
InChIInChI=1S/C20H20N4O/c1-15-6-9-19(22-21-15)23-10-12-24(13-11-23)20(25)18-8-7-16-4-2-3-5-17(16)14-18/h2-9,14H,10-13H2,1H3
InChIKeyHTCXKYMNYUKZHL-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053925
naphthalen-2-yl-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122341422
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870
[4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053897
[4-(dimethylamino)phenyl]-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110744372
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 121060568
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 122341313
(4-chloro-3-methylsulfonylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86941349
(4-ethoxy-3-methylphenyl)-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]methanone
CID 86938536
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
phenyl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121038151
[4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 42802388

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone (CID 56699157) is [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone is Cc1ccc(N2CCN(C(=O)c3ccc4ccccc4c3)CC2)nn1.
What is the InChIKey of [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is HTCXKYMNYUKZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-6-9-19(22-21-15)23-10-12-24(13-11-23)20(25)18-8-7-16-4-2-3-5-17(16)14-18/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 332.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyridazin-3-yl)piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 56699157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).