4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine

C14H13F3N8S — CID 86812806

IUPAC4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)Cn1c(SCc2nnnn2C2CC2)nnc1-c1ccncc1
InChIInChI=1S/C14H13F3N8S/c15-14(16,17)8-24-12(9-3-5-18-6-4-9)20-21-13(24)26-7-11-19-22-23-25(11)10-1-2-10/h3-6,10H,1-2,7-8H2
InChIKeyOQWPPRCUAZNVDF-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.52
Rot. Bonds6

About 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine

4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine (PubChem CID 86812806) has the molecular formula C14H13F3N8S and a molecular weight of 382.38 g/mol. Its IUPAC name is 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
PubChem CID86812806
Molecular FormulaC14H13F3N8S
Molecular Weight382.38 g/mol
Exact Mass382.09
IUPAC Name4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
SMILESFC(F)(F)Cn1c(SCc2nnnn2C2CC2)nnc1-c1ccncc1
InChIInChI=1S/C14H13F3N8S/c15-14(16,17)8-24-12(9-3-5-18-6-4-9)20-21-13(24)26-7-11-19-22-23-25(11)10-1-2-10/h3-6,10H,1-2,7-8H2
InChIKeyOQWPPRCUAZNVDF-UHFFFAOYSA-N
XLogP2.52
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine with MolForge

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Related Compounds

1-cyclopropyl-5-[[5-(2-fluorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]tetrazole
CID 86922258
1-[benzyl(methyl)amino]-3-[[5-pyridin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 86882588
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[[5-pyridin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 60596978
(2R)-N-methyl-2-[[5-pyridin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 94815531
3-chloro-2-[[5-pyridin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]-5-(trifluoromethyl)pyridine
CID 133277092
4-[4-cyclopropyl-5-[(3-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 24670996
N-methyl-2-[[5-pyridin-4-yl-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-3-ylmethyl)acetamide
CID 52780598
4-[5-[2-(3-nitrophenoxy)ethylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
CID 60597214
4-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)pyridine
CID 4596790
[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149841
5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine
CID 43301839
4-[5-(cyclohexylmethylsulfanyl)-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 134040135

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine (CID 86812806) is 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine is FC(F)(F)Cn1c(SCc2nnnn2C2CC2)nnc1-c1ccncc1.
What is the InChIKey of 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
The InChIKey is OQWPPRCUAZNVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N8S/c15-14(16,17)8-24-12(9-3-5-18-6-4-9)20-21-13(24)26-7-11-19-22-23-25(11)10-1-2-10/h3-6,10H,1-2,7-8H2.
What are the key properties of 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine?
4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine has a molecular weight of 382.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 86812806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).