4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine

C12H20N4O — CID 155030573

IUPAC4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine
SMILESCC1CN(C2COC2)CCN1C1=CNNC=C1
InChIInChI=1S/C12H20N4O/c1-10-7-15(12-8-17-9-12)4-5-16(10)11-2-3-13-14-6-11/h2-3,6,10,12-14H,4-5,7-9H2,1H3
InChIKeyJNSOAVRUPHPELH-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.15
Rot. Bonds2

About 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine

4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine (PubChem CID 155030573) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine.

Molecular Properties

Compound Name4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine
PubChem CID155030573
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine
SMILESCC1CN(C2COC2)CCN1C1=CNNC=C1
InChIInChI=1S/C12H20N4O/c1-10-7-15(12-8-17-9-12)4-5-16(10)11-2-3-13-14-6-11/h2-3,6,10,12-14H,4-5,7-9H2,1H3
InChIKeyJNSOAVRUPHPELH-UHFFFAOYSA-N
XLogP-0.15
TPSA39.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine?
The IUPAC name of 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine (CID 155030573) is 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine.
What is the SMILES notation for 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine?
The canonical SMILES for 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine is CC1CN(C2COC2)CCN1C1=CNNC=C1.
What is the InChIKey of 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine?
The InChIKey is JNSOAVRUPHPELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-7-15(12-8-17-9-12)4-5-16(10)11-2-3-13-14-6-11/h2-3,6,10,12-14H,4-5,7-9H2,1H3.
What are the key properties of 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine?
4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine has a molecular weight of 236.32 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-1,2-dihydropyridazine is sourced from PubChem (CID 155030573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).