4-methyl-5-methylsulfanyl-2-phenyltriazole

C10H11N3S — CID 12815844

IUPAC4-methyl-5-methylsulfanyl-2-phenyltriazole
SMILESCSc1nn(-c2ccccc2)nc1C
InChIInChI=1S/C10H11N3S/c1-8-10(14-2)12-13(11-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyQHDCIVGODPOYFW-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.30
Rot. Bonds2

About 4-methyl-5-methylsulfanyl-2-phenyltriazole

4-methyl-5-methylsulfanyl-2-phenyltriazole (PubChem CID 12815844) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-methyl-5-methylsulfanyl-2-phenyltriazole.

Molecular Properties

Compound Name4-methyl-5-methylsulfanyl-2-phenyltriazole
PubChem CID12815844
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name4-methyl-5-methylsulfanyl-2-phenyltriazole
SMILESCSc1nn(-c2ccccc2)nc1C
InChIInChI=1S/C10H11N3S/c1-8-10(14-2)12-13(11-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyQHDCIVGODPOYFW-UHFFFAOYSA-N
XLogP2.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-5-methyl-2-phenyltriazole
CID 23529414
N-hydroxy-5-methyl-2-phenyltriazole-4-carboxamide
CID 135968921
5-methyl-2-phenyltriazole-4-carbohydrazide
CID 2774345
amino-(5-methyl-2-phenyltriazol-4-yl)methanol
CID 166671413
(5-methyl-2-phenyltriazol-4-yl)-(2-methylsulfanyl-5,6-dihydro-4H-pyrimidin-1-yl)methanone
CID 2799321
N-[2-(dimethylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 46687305
3-methylsulfanyl-1-phenylpyrazol-4-amine
CID 57193043
ethane;methanol;bis(2-phenylbenzotriazole)
CID 162119776
5-methyl-2-phenyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174597828
N-[4-(carbamoylamino)phenyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 33151610
3-methylsulfanyl-1,4,5-triphenylpyrazole
CID 11551885
N-ethyl-5-methyl-N-(2-methylphenyl)-2-phenyltriazole-4-carboxamide
CID 46550128

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylsulfanyl-2-phenyltriazole?
The IUPAC name of 4-methyl-5-methylsulfanyl-2-phenyltriazole (CID 12815844) is 4-methyl-5-methylsulfanyl-2-phenyltriazole.
What is the SMILES notation for 4-methyl-5-methylsulfanyl-2-phenyltriazole?
The canonical SMILES for 4-methyl-5-methylsulfanyl-2-phenyltriazole is CSc1nn(-c2ccccc2)nc1C.
What is the InChIKey of 4-methyl-5-methylsulfanyl-2-phenyltriazole?
The InChIKey is QHDCIVGODPOYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-8-10(14-2)12-13(11-8)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 4-methyl-5-methylsulfanyl-2-phenyltriazole?
4-methyl-5-methylsulfanyl-2-phenyltriazole has a molecular weight of 205.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylsulfanyl-2-phenyltriazole is sourced from PubChem (CID 12815844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).