4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine

C17H23ClN4OS — CID 13346866

IUPAC4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine
SMILESClc1ccc(N2N=NC3CCSCCCC32N2CCOCC2)cc1
InChIInChI=1S/C17H23ClN4OS/c18-14-2-4-15(5-3-14)22-17(21-8-10-23-11-9-21)7-1-12-24-13-6-16(17)19-20-22/h2-5,16H,1,6-13H2
InChIKeyGFVCHGKBJDSJDO-UHFFFAOYSA-N
MW366.92 g/mol
LogP3.84
Rot. Bonds2

About 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine

4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine (PubChem CID 13346866) has the molecular formula C17H23ClN4OS and a molecular weight of 366.92 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine
PubChem CID13346866
Molecular FormulaC17H23ClN4OS
Molecular Weight366.92 g/mol
Exact Mass366.13
IUPAC Name4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine
SMILESClc1ccc(N2N=NC3CCSCCCC32N2CCOCC2)cc1
InChIInChI=1S/C17H23ClN4OS/c18-14-2-4-15(5-3-14)22-17(21-8-10-23-11-9-21)7-1-12-24-13-6-16(17)19-20-22/h2-5,16H,1,6-13H2
InChIKeyGFVCHGKBJDSJDO-UHFFFAOYSA-N
XLogP3.84
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.92
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3aR,7aS)-3-(4-nitrophenyl)-5,6,7,7a-tetrahydro-4H-benzotriazol-3a-yl]morpholine
CID 7859789
9-chloro-1-(4-chlorophenyl)-10b-pyrrolidin-1-yl-4,5-dihydro-3aH-[1]benzothiepino[4,5-d]triazole
CID 12674314
4-[(6aR,10aR)-13-chloro-6-(4-nitrophenyl)-8,9,10,10a-tetrahydro-7H-phthalazino[1,2-c][1,2,4]benzotriazin-6a-yl]morpholine
CID 28559507
[3-[4-(4-chlorophenyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62872918
[1-(4-chlorophenyl)cyclopentyl]-[(3R)-3-(morpholin-4-ylmethyl)-1,4-thiazepan-4-yl]methanone
CID 97105340
4-chloro-2-(4-chlorophenyl)-5-[(3-morpholin-4-ylthiolan-3-yl)methylamino]pyridazin-3-one
CID 60502593
7-chloro-N-(4-methylphenyl)-4a-morpholin-4-yl-1,2,3,4,9,9a-hexahydroxanthen-9-amine
CID 11486756
1-(4-chlorophenyl)-4-[(3R)-thiolan-3-yl]piperazine
CID 26458363
(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol
CID 79060021
N-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)-1,4-thiazepane-4-carboxamide
CID 90569312
4-[[(3R)-4-(4-chlorophenyl)sulfonyl-1,4-thiazepan-3-yl]methyl]morpholine
CID 97105402
1-N-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylcyclohexane-1,3-diamine
CID 67627946

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine?
The IUPAC name of 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine (CID 13346866) is 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine?
The canonical SMILES for 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine is Clc1ccc(N2N=NC3CCSCCCC32N2CCOCC2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine?
The InChIKey is GFVCHGKBJDSJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4OS/c18-14-2-4-15(5-3-14)22-17(21-8-10-23-11-9-21)7-1-12-24-13-6-16(17)19-20-22/h2-5,16H,1,6-13H2.
What are the key properties of 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine?
4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine has a molecular weight of 366.92 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-3a,4,5,7,8,9-hexahydrothiocino[4,5-d]triazol-9a-yl]morpholine is sourced from PubChem (CID 13346866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).