1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one

C18H22N4O — CID 56699712

IUPAC1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nn1
InChIInChI=1S/C18H22N4O/c1-15-7-9-17(20-19-15)21-11-13-22(14-12-21)18(23)10-8-16-5-3-2-4-6-16/h2-7,9H,8,10-14H2,1H3
InChIKeyCCGQUGUKEJVPMH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.07
Rot. Bonds4

About 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 56699712) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID56699712
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nn1
InChIInChI=1S/C18H22N4O/c1-15-7-9-17(20-19-15)21-11-13-22(14-12-21)18(23)10-8-16-5-3-2-4-6-16/h2-7,9H,8,10-14H2,1H3
InChIKeyCCGQUGUKEJVPMH-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylsulfanylpropan-1-one
CID 121060504
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110645862
3-(3-methylphenyl)-1-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 122341628
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
3,3-dimethyl-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 110727422
1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121054041
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 71961267

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 56699712) is 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one is Cc1ccc(N2CCN(C(=O)CCc3ccccc3)CC2)nn1.
What is the InChIKey of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is CCGQUGUKEJVPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-15-7-9-17(20-19-15)21-11-13-22(14-12-21)18(23)10-8-16-5-3-2-4-6-16/h2-7,9H,8,10-14H2,1H3.
What are the key properties of 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 310.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 56699712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).