6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one

C16H23N3O2 — CID 126935224

IUPAC6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(NC2COC2)CC1
InChIInChI=1S/C16H23N3O2/c20-16-8-7-15(11-1-2-11)18-19(16)14-5-3-12(4-6-14)17-13-9-21-10-13/h7-8,11-14,17H,1-6,9-10H2
InChIKeyQMEJCGGAKKTDCB-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.59
Rot. Bonds4

About 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one

6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126935224) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126935224
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(NC2COC2)CC1
InChIInChI=1S/C16H23N3O2/c20-16-8-7-15(11-1-2-11)18-19(16)14-5-3-12(4-6-14)17-13-9-21-10-13/h7-8,11-14,17H,1-6,9-10H2
InChIKeyQMEJCGGAKKTDCB-UHFFFAOYSA-N
XLogP1.59
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one (CID 126935224) is 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1CCC(NC2COC2)CC1.
What is the InChIKey of 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is QMEJCGGAKKTDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16-8-7-15(11-1-2-11)18-19(16)14-5-3-12(4-6-14)17-13-9-21-10-13/h7-8,11-14,17H,1-6,9-10H2.
What are the key properties of 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one?
6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-(oxetan-3-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126935224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).