4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine

C22H22N4OS — CID 24659250

IUPAC4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine
SMILESc1ccc2c(c1)-c1ccccc1C2Sc1nnc(N2CCOCC2)n1C1CC1
InChIInChI=1S/C22H22N4OS/c1-3-7-18-16(5-1)17-6-2-4-8-19(17)20(18)28-22-24-23-21(26(22)15-9-10-15)25-11-13-27-14-12-25/h1-8,15,20H,9-14H2
InChIKeyXQURXRNPKRGPPB-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.31
Rot. Bonds4

About 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine

4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine (PubChem CID 24659250) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine
PubChem CID24659250
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine
SMILESc1ccc2c(c1)-c1ccccc1C2Sc1nnc(N2CCOCC2)n1C1CC1
InChIInChI=1S/C22H22N4OS/c1-3-7-18-16(5-1)17-6-2-4-8-19(17)20(18)28-22-24-23-21(26(22)15-9-10-15)25-11-13-27-14-12-25/h1-8,15,20H,9-14H2
InChIKeyXQURXRNPKRGPPB-UHFFFAOYSA-N
XLogP4.31
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine with MolForge

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Related Compounds

2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 43411562
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylsulfanylphenyl)acetamide
CID 16585754
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
CID 16585681
N-[(2-chlorophenyl)methyl]-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18134117
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methylacetamide
CID 42158340
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,2-diphenylethyl)acetamide
CID 24601815
4-[4-cyclopropyl-5-[(1R)-1-(2,4-difluorophenyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]morpholine
CID 52505096
2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]isoindole-1,3-dione
CID 17450614
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,4-dimethylphenyl)ethanone
CID 16585896
2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenoxyphenyl)acetamide
CID 16585702
4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde
CID 83890539
N-(3-acetylphenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16585685

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine (CID 24659250) is 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine is c1ccc2c(c1)-c1ccccc1C2Sc1nnc(N2CCOCC2)n1C1CC1.
What is the InChIKey of 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine?
The InChIKey is XQURXRNPKRGPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-3-7-18-16(5-1)17-6-2-4-8-19(17)20(18)28-22-24-23-21(26(22)15-9-10-15)25-11-13-27-14-12-25/h1-8,15,20H,9-14H2.
What are the key properties of 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine?
4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine has a molecular weight of 390.51 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-cyclopropyl-5-(9H-fluoren-9-ylsulfanyl)-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 24659250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).