[2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine

C11H14N4OS — CID 106596395

IUPAC[2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
SMILESCSc1cccc(Oc2ncn(C)n2)c1CN
InChIInChI=1S/C11H14N4OS/c1-15-7-13-11(14-15)16-9-4-3-5-10(17-2)8(9)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyGCGMWUNVLYXAEZ-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.79
Rot. Bonds4

About [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine

[2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine (PubChem CID 106596395) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
PubChem CID106596395
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC Name[2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
SMILESCSc1cccc(Oc2ncn(C)n2)c1CN
InChIInChI=1S/C11H14N4OS/c1-15-7-13-11(14-15)16-9-4-3-5-10(17-2)8(9)6-12/h3-5,7H,6,12H2,1-2H3
InChIKeyGCGMWUNVLYXAEZ-UHFFFAOYSA-N
XLogP1.79
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-ethylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596442
[2-(3-fluorophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385374
[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-6-methylsulfanylphenyl]methanamine
CID 103174316
[2-(3-bromophenoxy)-6-methylsulfanylphenyl]methanamine
CID 113385388
[3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-4-pyridinyl]methanamine
CID 106596412
2-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzoic acid
CID 106596756
[4-methoxy-2-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596411
(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314
2-amino-3-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzamide
CID 106597551
2-chloro-N'-hydroxy-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]benzenecarboximidamide
CID 106597229
N-methyl-1-[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methanamine
CID 106598036
N-[[4-[(1-methyl-1,2,4-triazol-3-yl)oxy]quinolin-2-yl]methyl]ethanamine
CID 106597869

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine?
The IUPAC name of [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine (CID 106596395) is [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine?
The canonical SMILES for [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine is CSc1cccc(Oc2ncn(C)n2)c1CN.
What is the InChIKey of [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine?
The InChIKey is GCGMWUNVLYXAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-15-7-13-11(14-15)16-9-4-3-5-10(17-2)8(9)6-12/h3-5,7H,6,12H2,1-2H3.
What are the key properties of [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine?
[2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine has a molecular weight of 250.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 106596395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).