3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole

C18H23N3O2S — CID 9027504

IUPAC3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole
SMILESCOc1cc(C)c(CSc2nnc(C3CC3)n2C2CC2)cc1OC
InChIInChI=1S/C18H23N3O2S/c1-11-8-15(22-2)16(23-3)9-13(11)10-24-18-20-19-17(12-4-5-12)21(18)14-6-7-14/h8-9,12,14H,4-7,10H2,1-3H3
InChIKeyIGEIMYDLYNGKIQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.11
Rot. Bonds7

About 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole

3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole (PubChem CID 9027504) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole.

Molecular Properties

Compound Name3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole
PubChem CID9027504
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole
SMILESCOc1cc(C)c(CSc2nnc(C3CC3)n2C2CC2)cc1OC
InChIInChI=1S/C18H23N3O2S/c1-11-8-15(22-2)16(23-3)9-13(11)10-24-18-20-19-17(12-4-5-12)21(18)14-6-7-14/h8-9,12,14H,4-7,10H2,1-3H3
InChIKeyIGEIMYDLYNGKIQ-UHFFFAOYSA-N
XLogP4.11
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole 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

3,4-dicyclopropyl-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-1,2,4-triazole
CID 9028316
3-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-cyclopropyl-4-ethyl-1,2,4-triazole
CID 8724378
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9440214
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methoxychromen-2-one
CID 9025611
5-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9027429
3-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-5-methyl-1,2,4-triazole
CID 8631361
5-chloro-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
CID 62101926
3,4-dicyclopropyl-5-[(2,3-dichlorophenyl)methylsulfanyl]-1,2,4-triazole
CID 130364519
methyl 2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17483257
3,4-dicyclopropyl-5-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
CID 9381085
8-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]quinoline
CID 42021119
3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbonitrile
CID 62921467

Frequently Asked Questions

What is the IUPAC name of 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole?
The IUPAC name of 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole (CID 9027504) is 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole.
What is the SMILES notation for 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole?
The canonical SMILES for 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole is COc1cc(C)c(CSc2nnc(C3CC3)n2C2CC2)cc1OC.
What is the InChIKey of 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole?
The InChIKey is IGEIMYDLYNGKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-11-8-15(22-2)16(23-3)9-13(11)10-24-18-20-19-17(12-4-5-12)21(18)14-6-7-14/h8-9,12,14H,4-7,10H2,1-3H3.
What are the key properties of 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole?
3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole has a molecular weight of 345.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dicyclopropyl-5-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-1,2,4-triazole is sourced from PubChem (CID 9027504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).