1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole

C17H20FN7S — CID 86922258

IUPAC1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole
SMILESCC(C)Cn1c(SCc2nnnn2C2CC2)nnc1-c1ccccc1F
InChIInChI=1S/C17H20FN7S/c1-11(2)9-24-16(13-5-3-4-6-14(13)18)20-21-17(24)26-10-15-19-22-23-25(15)12-7-8-12/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQJHLYILVSIEOCL-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.35
Rot. Bonds7

About 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole

1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole (PubChem CID 86922258) has the molecular formula C17H20FN7S and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole
PubChem CID86922258
Molecular FormulaC17H20FN7S
Molecular Weight373.46 g/mol
Exact Mass373.15
IUPAC Name1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole
SMILESCC(C)Cn1c(SCc2nnnn2C2CC2)nnc1-c1ccccc1F
InChIInChI=1S/C17H20FN7S/c1-11(2)9-24-16(13-5-3-4-6-14(13)18)20-21-17(24)26-10-15-19-22-23-25(15)12-7-8-12/h3-6,11-12H,7-10H2,1-2H3
InChIKeyQJHLYILVSIEOCL-UHFFFAOYSA-N
XLogP3.35
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole with MolForge

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Related Compounds

3-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 26235965
2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinoline
CID 112797654
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2578138
2-[2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione
CID 3284307
2-(2-chlorophenyl)-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 112773919
5-(2-chlorophenyl)-3-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 24661576
N-butan-2-yl-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5029147
4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
CID 86812806
N-benzyl-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2578085
2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide
CID 27930802
N-(3,5-dimethylphenyl)-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2341006
1-(5-chlorothiophen-2-yl)-2-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 18279377

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole?
The IUPAC name of 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole (CID 86922258) is 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole.
What is the SMILES notation for 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole?
The canonical SMILES for 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole is CC(C)Cn1c(SCc2nnnn2C2CC2)nnc1-c1ccccc1F.
What is the InChIKey of 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole?
The InChIKey is QJHLYILVSIEOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7S/c1-11(2)9-24-16(13-5-3-4-6-14(13)18)20-21-17(24)26-10-15-19-22-23-25(15)12-7-8-12/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole?
1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole has a molecular weight of 373.46 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole is sourced from PubChem (CID 86922258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).