cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C14H21N5O — CID 71807499

IUPACcyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C14H21N5O/c1-17(2)12-9-13(16-15-10-12)18-5-7-19(8-6-18)14(20)11-3-4-11/h9-11H,3-8H2,1-2H3
InChIKeyRBFDKTIQCWZWJI-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.60
Rot. Bonds3

About cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone

cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 71807499) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID71807499
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Namecyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESCN(C)c1cnnc(N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C14H21N5O/c1-17(2)12-9-13(16-15-10-12)18-5-7-19(8-6-18)14(20)11-3-4-11/h9-11H,3-8H2,1-2H3
InChIKeyRBFDKTIQCWZWJI-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 71807499) is cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is CN(C)c1cnnc(N2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is RBFDKTIQCWZWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17(2)12-9-13(16-15-10-12)18-5-7-19(8-6-18)14(20)11-3-4-11/h9-11H,3-8H2,1-2H3.
What are the key properties of cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 275.36 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 71807499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).