2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C18H20F3N5O — CID 126935460

IUPAC2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ccc(C(F)(F)F)nn3)CC1)CCC2
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)15-8-9-16(24-23-15)22-12-4-6-13(7-5-12)26-17(27)10-11-2-1-3-14(11)25-26/h8-10,12-13H,1-7H2,(H,22,24)
InChIKeyIZUAVEWVROWHHF-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.14
Rot. Bonds3

About 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126935460) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126935460
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC Name2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1C1CCC(Nc3ccc(C(F)(F)F)nn3)CC1)CCC2
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)15-8-9-16(24-23-15)22-12-4-6-13(7-5-12)26-17(27)10-11-2-1-3-14(11)25-26/h8-10,12-13H,1-7H2,(H,22,24)
InChIKeyIZUAVEWVROWHHF-UHFFFAOYSA-N
XLogP3.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

2-[4-[(6-tert-butylpyridazin-3-yl)amino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935733
2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935418
2-[4-[(1-methyl-6-oxopyridazin-3-yl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935562
2-[4-(pyrimidin-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935702
2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935558
6-methyl-2-[4-(5,6,7,8-tetrahydrocinnolin-3-ylamino)cyclohexyl]pyridazin-3-one
CID 126934872
2-[4-[(2-methyl-4-pyridinyl)amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935391
2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935481
2-[4-(cyclopropylmethylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935392
2-[4-(thian-4-ylamino)cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935544
2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935839
2-[4-(1H-benzimidazol-2-ylamino)cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935715

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126935460) is 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1C1CCC(Nc3ccc(C(F)(F)F)nn3)CC1)CCC2.
What is the InChIKey of 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is IZUAVEWVROWHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c19-18(20,21)15-8-9-16(24-23-15)22-12-4-6-13(7-5-12)26-17(27)10-11-2-1-3-14(11)25-26/h8-10,12-13H,1-7H2,(H,22,24).
What are the key properties of 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 379.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126935460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).