1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine

C8H16N4OS — CID 107511444

IUPAC1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
SMILESCNC(COC)CSc1n[nH]c(C)n1
InChIInChI=1S/C8H16N4OS/c1-6-10-8(12-11-6)14-5-7(9-2)4-13-3/h7,9H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyQRHGCGBZPIFUNY-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.44
Rot. Bonds6

About 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine

1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine (PubChem CID 107511444) has the molecular formula C8H16N4OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
PubChem CID107511444
Molecular FormulaC8H16N4OS
Molecular Weight216.31 g/mol
Exact Mass216.10
IUPAC Name1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
SMILESCNC(COC)CSc1n[nH]c(C)n1
InChIInChI=1S/C8H16N4OS/c1-6-10-8(12-11-6)14-5-7(9-2)4-13-3/h7,9H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyQRHGCGBZPIFUNY-UHFFFAOYSA-N
XLogP0.44
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-diethoxyethylsulfanyl)-5-methyl-1H-1,2,4-triazole
CID 63629618
methyl 2-(methylamino)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate
CID 63033814
1-(2,5-dimethoxyphenyl)-N-methyl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64626734
N-(2-methoxyethyl)-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]butan-1-amine
CID 62580317
1-(cyclopropylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 61346878
2-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanehydrazide
CID 63591170
1-(1H-imidazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107784074
1-(4-fluorophenyl)sulfanyl-3-methoxy-N-methylpropan-2-amine
CID 79574558
1-(3-methoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanol
CID 113221262
1-(1,3-benzothiazol-2-ylsulfanyl)-3-methoxy-N-methylpropan-2-amine
CID 107511245
3-[3-(4-methoxyphenoxy)propylsulfanyl]-5-methyl-1H-1,2,4-triazole
CID 39020131
3-(3,3-diethoxypropylsulfanyl)-5-methyl-1H-1,2,4-triazole
CID 63629318

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine (CID 107511444) is 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine is CNC(COC)CSc1n[nH]c(C)n1.
What is the InChIKey of 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
The InChIKey is QRHGCGBZPIFUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4OS/c1-6-10-8(12-11-6)14-5-7(9-2)4-13-3/h7,9H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine has a molecular weight of 216.31 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 107511444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).