6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one

C16H22F3N3O2 — CID 126935221

IUPAC6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)14(23)9-20-11-3-5-12(6-4-11)22-15(24)8-7-13(21-22)10-1-2-10/h7-8,10-12,14,20,23H,1-6,9H2
InChIKeyINPGKQFUDQCSEO-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.12
Rot. Bonds5

About 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one

6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one (PubChem CID 126935221) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one
PubChem CID126935221
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(NCC(O)C(F)(F)F)CC1
InChIInChI=1S/C16H22F3N3O2/c17-16(18,19)14(23)9-20-11-3-5-12(6-4-11)22-15(24)8-7-13(21-22)10-1-2-10/h7-8,10-12,14,20,23H,1-6,9H2
InChIKeyINPGKQFUDQCSEO-UHFFFAOYSA-N
XLogP2.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935558
2-cyclobutyl-6-cyclopropylpyridazin-3-one
CID 126857338
6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935165
6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126935103
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935074
2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one
CID 92549020
6-cyclopropyl-2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935075
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2-(1H-indol-3-yl)acetamide
CID 126934959
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-6-carboxamide
CID 126934963
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide
CID 126934997

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one (CID 126935221) is 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1CCC(NCC(O)C(F)(F)F)CC1.
What is the InChIKey of 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one?
The InChIKey is INPGKQFUDQCSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c17-16(18,19)14(23)9-20-11-3-5-12(6-4-11)22-15(24)8-7-13(21-22)10-1-2-10/h7-8,10-12,14,20,23H,1-6,9H2.
What are the key properties of 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one?
6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one has a molecular weight of 345.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126935221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).