1-benzyl-5-phenylsulfanyl-1,2,4-triazole

C15H13N3S — CID 11323114

IUPAC1-benzyl-5-phenylsulfanyl-1,2,4-triazole
SMILESc1ccc(Cn2ncnc2Sc2ccccc2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-13(8-4-1)11-18-15(16-12-17-18)19-14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyYVUPTVPHBQWUIX-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.48
Rot. Bonds4

About 1-benzyl-5-phenylsulfanyl-1,2,4-triazole

1-benzyl-5-phenylsulfanyl-1,2,4-triazole (PubChem CID 11323114) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-benzyl-5-phenylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name1-benzyl-5-phenylsulfanyl-1,2,4-triazole
PubChem CID11323114
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name1-benzyl-5-phenylsulfanyl-1,2,4-triazole
SMILESc1ccc(Cn2ncnc2Sc2ccccc2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-13(8-4-1)11-18-15(16-12-17-18)19-14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKeyYVUPTVPHBQWUIX-UHFFFAOYSA-N
XLogP3.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-benzylsulfanyl-1,2,4-triazole
CID 675230
2-benzyl-1,2,4-triazol-3-amine;hydrochloride
CID 163993287
1-benzyl-5-methyl-1,2,4-triazin-6-one
CID 15722032
1-[(4-fluorophenyl)methyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole
CID 729799
3-(2-benzyl-1,2,4-triazol-3-yl)propanenitrile
CID 84782323
3-(2-benzyl-1,2,4-triazol-3-yl)butan-1-amine
CID 84793832
1-benzyl-5-pyrrolidin-3-yl-1,2,4-triazole
CID 84692041
1-benzyl-5-methylsulfanylpyrazole
CID 15683216
7-benzyl-5-iodo-4-phenylsulfanylpyrrolo[2,3-d]pyrimidine
CID 122221143
1-benzyl-5-[4-(difluoromethylsulfonyl)phenyl]sulfanyltetrazole
CID 133426507
[2-(2-phenylsulfanylethyl)-1,2,4-triazol-3-yl]methanol
CID 79228386
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-phenylsulfanyl-1,2,4-triazole?
The IUPAC name of 1-benzyl-5-phenylsulfanyl-1,2,4-triazole (CID 11323114) is 1-benzyl-5-phenylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 1-benzyl-5-phenylsulfanyl-1,2,4-triazole?
The canonical SMILES for 1-benzyl-5-phenylsulfanyl-1,2,4-triazole is c1ccc(Cn2ncnc2Sc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-phenylsulfanyl-1,2,4-triazole?
The InChIKey is YVUPTVPHBQWUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-3-7-13(8-4-1)11-18-15(16-12-17-18)19-14-9-5-2-6-10-14/h1-10,12H,11H2.
What are the key properties of 1-benzyl-5-phenylsulfanyl-1,2,4-triazole?
1-benzyl-5-phenylsulfanyl-1,2,4-triazole has a molecular weight of 267.36 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-phenylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 11323114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).