N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine

C10H12N4O2S — CID 141393650

IUPACN-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine
SMILESCOc1cc(S(C)=O)ccc1Nn1cncn1
InChIInChI=1S/C10H12N4O2S/c1-16-10-5-8(17(2)15)3-4-9(10)13-14-7-11-6-12-14/h3-7,13H,1-2H3
InChIKeyYIBUWIJIODGOAL-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.90
Rot. Bonds4

About N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine

N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine (PubChem CID 141393650) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine.

Molecular Properties

Compound NameN-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine
PubChem CID141393650
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC NameN-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine
SMILESCOc1cc(S(C)=O)ccc1Nn1cncn1
InChIInChI=1S/C10H12N4O2S/c1-16-10-5-8(17(2)15)3-4-9(10)13-14-7-11-6-12-14/h3-7,13H,1-2H3
InChIKeyYIBUWIJIODGOAL-UHFFFAOYSA-N
XLogP0.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017
1-[[4-methoxy-3-(3-methylsulfanylphenyl)phenyl]methyl]-1,2,4-triazole;1-[[4-methoxy-3-(3-methylsulfinylphenyl)phenyl]methyl]-1,2,4-triazole
CID 158519687
2-hydroxy-4-methoxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481026
4-[1-hydroxy-2-(2-methoxy-4-methylsulfinylphenyl)-5-methylimidazol-4-yl]pyridine
CID 14211340
2-methoxy-5-(1,2,4-triazol-1-yl)benzoic acid
CID 82512716
1-(3-methoxy-4-nitrophenyl)-1,2,4-triazole
CID 58748366
2-methoxy-6-methylsulfinylnaphthalene-1-carbaldehyde
CID 145071221
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
3-methoxy-4-(1,2,4-triazol-1-yl)benzaldehyde
CID 84671353
N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601345
3-methyl-N-(1,2,4-triazol-1-yl)benzotriazol-5-amine
CID 141394403
N-(2,5-dimethoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 24663723

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine?
The IUPAC name of N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine (CID 141393650) is N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine.
What is the SMILES notation for N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine?
The canonical SMILES for N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine is COc1cc(S(C)=O)ccc1Nn1cncn1.
What is the InChIKey of N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine?
The InChIKey is YIBUWIJIODGOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-16-10-5-8(17(2)15)3-4-9(10)13-14-7-11-6-12-14/h3-7,13H,1-2H3.
What are the key properties of N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine?
N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine has a molecular weight of 252.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylsulfinylphenyl)-1,2,4-triazol-1-amine is sourced from PubChem (CID 141393650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).