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

C15H25N5O — CID 71807488

IUPAC1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1
InChIInChI=1S/C15H25N5O/c1-12(2)9-15(21)20-7-5-19(6-8-20)14-10-13(18(3)4)11-16-17-14/h10-12H,5-9H2,1-4H3
InChIKeyHQIUNSDESISJGI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.24
Rot. Bonds4

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

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 71807488) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
PubChem CID71807488
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1
InChIInChI=1S/C15H25N5O/c1-12(2)9-15(21)20-7-5-19(6-8-20)14-10-13(18(3)4)11-16-17-14/h10-12H,5-9H2,1-4H3
InChIKeyHQIUNSDESISJGI-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.24
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]-3-methylbutan-1-one?
The IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one (CID 71807488) is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1.
What is the InChIKey of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is HQIUNSDESISJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12(2)9-15(21)20-7-5-19(6-8-20)14-10-13(18(3)4)11-16-17-14/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one?
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 291.40 g/mol, XLogP of 1.24, 4 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]-3-methylbutan-1-one is sourced from PubChem (CID 71807488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).