2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine

C15H15N5S — CID 931943

IUPAC2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
SMILESCc1ccc(CSc2nnc(-c3cnccn3)n2C)cc1
InChIInChI=1S/C15H15N5S/c1-11-3-5-12(6-4-11)10-21-15-19-18-14(20(15)2)13-9-16-7-8-17-13/h3-9H,10H2,1-2H3
InChIKeyOQOSPHYKENYWMY-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.87
Rot. Bonds4

About 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine

2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine (PubChem CID 931943) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
PubChem CID931943
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine
SMILESCc1ccc(CSc2nnc(-c3cnccn3)n2C)cc1
InChIInChI=1S/C15H15N5S/c1-11-3-5-12(6-4-11)10-21-15-19-18-14(20(15)2)13-9-16-7-8-17-13/h3-9H,10H2,1-2H3
InChIKeyOQOSPHYKENYWMY-UHFFFAOYSA-N
XLogP2.87
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(3-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyrazine
CID 938500
2-methyl-4-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-1,3-thiazole
CID 2744068
4-[4-methyl-5-[[4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 1150565
N-methyl-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1435268
[4-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanol
CID 110005053
2-chloro-5-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 31047768
1-(2-methoxyphenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 936077
2-[5-[(2,5-dimethylphenyl)methylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]pyrazine
CID 2037386
3-[5-[(4-tert-butylphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 865925
N-(3-fluorophenyl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 934101
4-ethyl-2-methyl-6-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133472657
3-[(4-chlorophenyl)methylsulfanyl]-5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 17382752

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine (CID 931943) is 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine is Cc1ccc(CSc2nnc(-c3cnccn3)n2C)cc1.
What is the InChIKey of 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is OQOSPHYKENYWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-11-3-5-12(6-4-11)10-21-15-19-18-14(20(15)2)13-9-16-7-8-17-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine?
2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 297.39 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-5-[(4-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 931943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).