2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole

C17H15F3N4S — CID 141491652

IUPAC2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole
SMILESCCSc1cc(C2CC2)cnc1-n1nc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H15F3N4S/c1-2-25-15-7-11(10-3-4-10)9-21-16(15)24-22-13-6-5-12(17(18,19)20)8-14(13)23-24/h5-10H,2-4H2,1H3
InChIKeySSCSXRFXKJAHKY-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.82
Rot. Bonds4

About 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole

2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole (PubChem CID 141491652) has the molecular formula C17H15F3N4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole
PubChem CID141491652
Molecular FormulaC17H15F3N4S
Molecular Weight364.40 g/mol
Exact Mass364.10
IUPAC Name2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole
SMILESCCSc1cc(C2CC2)cnc1-n1nc2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H15F3N4S/c1-2-25-15-7-11(10-3-4-10)9-21-16(15)24-22-13-6-5-12(17(18,19)20)8-14(13)23-24/h5-10H,2-4H2,1H3
InChIKeySSCSXRFXKJAHKY-UHFFFAOYSA-N
XLogP4.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 155660470
5-cyclopropyl-3-ethylsulfanylpyridine-2-carbaldehyde
CID 137382844
5-(4-cyclopropylphenyl)-3-ethylsulfanyl-2-[1-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-2-yl]pyridine
CID 167506541
5-cyclopropyl-3-ethylsulfanyl-N-[3-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 130382500
2-(5-bromo-3-ethylsulfanyl-2-pyridinyl)-6-(trifluoromethyl)phthalazin-1-one
CID 156641571
2-(5-cyclopropyl-2-ethylsulfanylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 122430797
2-(2-ethylsulfanylphenyl)-7-(trifluoromethyl)quinazoline
CID 118035584
5-(4-cyclopropylphenyl)-3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide
CID 167506885
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
ethyl 3-cyclopropylquinoline-6-carboxylate
CID 139487727
ethyl 2-ethylsulfanyl-4-(trifluoromethyl)benzoate
CID 91876377
1-[2-ethylsulfanyl-4-(trifluoromethyl)phenyl]-4-(4-methylphenyl)triazole
CID 134595379

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole?
The IUPAC name of 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole (CID 141491652) is 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole.
What is the SMILES notation for 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole?
The canonical SMILES for 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole is CCSc1cc(C2CC2)cnc1-n1nc2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole?
The InChIKey is SSCSXRFXKJAHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4S/c1-2-25-15-7-11(10-3-4-10)9-21-16(15)24-22-13-6-5-12(17(18,19)20)8-14(13)23-24/h5-10H,2-4H2,1H3.
What are the key properties of 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole?
2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole has a molecular weight of 364.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-ethylsulfanyl-2-pyridinyl)-5-(trifluoromethyl)benzotriazole is sourced from PubChem (CID 141491652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).