N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine

C11H14N4S — CID 112596529

IUPACN,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccc(SC)cc2)n1C
InChIInChI=1S/C11H14N4S/c1-12-11-14-13-10(15(11)2)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3,(H,12,14)
InChIKeyMKTWFKCXWGCVTO-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.25
Rot. Bonds3

About N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine

N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine (PubChem CID 112596529) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
PubChem CID112596529
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
SMILESCNc1nnc(-c2ccc(SC)cc2)n1C
InChIInChI=1S/C11H14N4S/c1-12-11-14-13-10(15(11)2)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3,(H,12,14)
InChIKeyMKTWFKCXWGCVTO-UHFFFAOYSA-N
XLogP2.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83888228
4-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzoic acid
CID 112597595
5-(3-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 83882734
5-(2,6-difluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596565
5-[4-methyl-5-(methylamino)-1,2,4-triazol-3-yl]benzene-1,3-diamine
CID 107811849
5-(3-methoxy-4-methylphenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596588
N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 112596439
N,4-dimethyl-5-(2,4,6-trifluorophenyl)-1,2,4-triazol-3-amine
CID 112596568
3-(4-chlorophenyl)-4-methyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazole
CID 7210417
4-methyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 7895696
5-(2-bromo-4-fluorophenyl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596472
3-(4-iodophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
CID 25270498

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine (CID 112596529) is N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine is CNc1nnc(-c2ccc(SC)cc2)n1C.
What is the InChIKey of N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine?
The InChIKey is MKTWFKCXWGCVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-12-11-14-13-10(15(11)2)8-4-6-9(16-3)7-5-8/h4-7H,1-3H3,(H,12,14).
What are the key properties of N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine?
N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine has a molecular weight of 234.33 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 N,4-dimethyl-5-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).