3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

C10H11ClN4S — CID 7672143

IUPAC3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
SMILESCc1nnc(SCc2ccccc2Cl)n1N
InChIInChI=1S/C10H11ClN4S/c1-7-13-14-10(15(7)12)16-6-8-4-2-3-5-9(8)11/h2-5H,6,12H2,1H3
InChIKeyOPJWUWUEYMAUSL-UHFFFAOYSA-N
MW254.75 g/mol
LogP2.25
Rot. Bonds3

About 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine

3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine (PubChem CID 7672143) has the molecular formula C10H11ClN4S and a molecular weight of 254.75 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
PubChem CID7672143
Molecular FormulaC10H11ClN4S
Molecular Weight254.75 g/mol
Exact Mass254.04
IUPAC Name3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine
SMILESCc1nnc(SCc2ccccc2Cl)n1N
InChIInChI=1S/C10H11ClN4S/c1-7-13-14-10(15(7)12)16-6-8-4-2-3-5-9(8)11/h2-5H,6,12H2,1H3
InChIKeyOPJWUWUEYMAUSL-UHFFFAOYSA-N
XLogP2.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.75
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine
CID 2473006
5-[(2-chlorophenyl)methylsulfanyl]-3-N-(cyclopentylideneamino)-1,2,4-triazole-3,4-diamine
CID 17077283
5-[(2-chlorophenyl)methylsulfanyl]-3-N-(cyclohexylideneamino)-1,2,4-triazole-3,4-diamine
CID 17077204
3-(4-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
CID 1129848
4-amino-6-(5-chloro-2-methylanilino)-3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazin-5-one
CID 35755243
4-amino-3-[(2-chlorophenyl)methylsulfanyl]-6-(4-propan-2-ylanilino)-1,2,4-triazin-5-one
CID 35755268
1,2-bis[5-[(2-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]ethane-1,2-diol
CID 2974870
3-[(2-chlorophenyl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole
CID 19717350
4-amino-3-[(2-chlorophenyl)methylsulfanyl]-6-(2-methoxyanilino)-1,2,4-triazin-5-one
CID 35755357
3-[5-[(2-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]pyridine
CID 865578
3-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-4-propan-2-yl-1,2,4-triazole
CID 17283990
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-(2-chlorophenyl)ethyl]acetamide
CID 7845315

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine (CID 7672143) is 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine is Cc1nnc(SCc2ccccc2Cl)n1N.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
The InChIKey is OPJWUWUEYMAUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S/c1-7-13-14-10(15(7)12)16-6-8-4-2-3-5-9(8)11/h2-5H,6,12H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine?
3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine has a molecular weight of 254.75 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 7672143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).