1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one

C14H23N5O — CID 71807486

IUPAC1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1
InChIInChI=1S/C14H23N5O/c1-11(2)14(20)19-7-5-18(6-8-19)13-9-12(17(3)4)10-15-16-13/h9-11H,5-8H2,1-4H3
InChIKeyRSHZCBVZQVNCRM-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.85
Rot. Bonds3

About 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 71807486) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
PubChem CID71807486
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1
InChIInChI=1S/C14H23N5O/c1-11(2)14(20)19-7-5-18(6-8-19)13-9-12(17(3)4)10-15-16-13/h9-11H,5-8H2,1-4H3
InChIKeyRSHZCBVZQVNCRM-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one (CID 71807486) is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCN(c2cc(N(C)C)cnn2)CC1.
What is the InChIKey of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is RSHZCBVZQVNCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(2)14(20)19-7-5-18(6-8-19)13-9-12(17(3)4)10-15-16-13/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one?
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 277.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 71807486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).