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

C7H14N4OS — CID 107511553

IUPAC1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
SMILESCOCC(N)CSc1ncnn1C
InChIInChI=1S/C7H14N4OS/c1-11-7(9-5-10-11)13-4-6(8)3-12-2/h5-6H,3-4,8H2,1-2H3
InChIKeyYIXRONKVOOGIMC-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.12
Rot. Bonds5

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

1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine (PubChem CID 107511553) has the molecular formula C7H14N4OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
PubChem CID107511553
Molecular FormulaC7H14N4OS
Molecular Weight202.28 g/mol
Exact Mass202.09
IUPAC Name1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
SMILESCOCC(N)CSc1ncnn1C
InChIInChI=1S/C7H14N4OS/c1-11-7(9-5-10-11)13-4-6(8)3-12-2/h5-6H,3-4,8H2,1-2H3
InChIKeyYIXRONKVOOGIMC-UHFFFAOYSA-N
XLogP-0.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,2-difluoroethylsulfanyl)-1-methyl-1,2,4-triazole
CID 131176601
1-butoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 107264136
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 104604703
5-(3-bromo-2-methylpropyl)sulfanyl-1-methyl-1,2,4-triazole
CID 104602649
2-amino-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-ol
CID 104604791
methyl 2-acetamido-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 104602579
1-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604552
1-chloro-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
CID 104602645
1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine
CID 107511293
5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine
CID 104604503
1-methoxy-3-(5-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 107511460
N-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-2-amine
CID 104604673

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine (CID 107511553) is 1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine is COCC(N)CSc1ncnn1C.
What is the InChIKey of 1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
The InChIKey is YIXRONKVOOGIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4OS/c1-11-7(9-5-10-11)13-4-6(8)3-12-2/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine?
1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine has a molecular weight of 202.28 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 107511553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).