(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone

C13H20N4O — CID 113200335

IUPAC(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C)CC2)nn1
InChIInChI=1S/C13H20N4O/c1-10(2)11-4-5-12(15-14-11)13(18)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3
InChIKeyWHEMIUINAPYOOV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.99
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone

(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone (PubChem CID 113200335) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
PubChem CID113200335
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C)CC2)nn1
InChIInChI=1S/C13H20N4O/c1-10(2)11-4-5-12(15-14-11)13(18)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3
InChIKeyWHEMIUINAPYOOV-UHFFFAOYSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6-propan-2-ylpyridazin-3-yl)-pyrrolidin-1-ylmethanone
CID 113200325
(4-methylpiperidin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200329
(4-methylpiperazin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109110976
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200377
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
3,4-dihydro-2H-quinolin-1-yl-(6-propan-2-ylpyridazin-3-yl)methanone
CID 113200410
(4-methylpiperazin-1-yl)-(1-propan-2-ylpyrazol-3-yl)methanone
CID 59729279
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(6-chloropyridazin-3-yl)-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 61053224
2-[3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19623468

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone (CID 113200335) is (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone is CC(C)c1ccc(C(=O)N2CCN(C)CC2)nn1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone?
The InChIKey is WHEMIUINAPYOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(2)11-4-5-12(15-14-11)13(18)17-8-6-16(3)7-9-17/h4-5,10H,6-9H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone?
(4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone has a molecular weight of 248.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(6-propan-2-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 113200335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).