6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine

C11H15N5OS — CID 104602837

IUPAC6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1nc(Sc2ncnn2C)ccc1N
InChIInChI=1S/C11H15N5OS/c1-7(2)17-10-8(12)4-5-9(15-10)18-11-13-6-14-16(11)3/h4-7H,12H2,1-3H3
InChIKeyYAWLKUMVJCESOC-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.73
Rot. Bonds4

About 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine

6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine (PubChem CID 104602837) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine.

Molecular Properties

Compound Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine
PubChem CID104602837
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine
SMILESCC(C)Oc1nc(Sc2ncnn2C)ccc1N
InChIInChI=1S/C11H15N5OS/c1-7(2)17-10-8(12)4-5-9(15-10)18-11-13-6-14-16(11)3/h4-7H,12H2,1-3H3
InChIKeyYAWLKUMVJCESOC-UHFFFAOYSA-N
XLogP1.73
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine
CID 55070537
2-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 104603418
5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 104602805
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 104604703
1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 104604418
N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 113431996
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 104604948
(1R)-1-[5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridinyl]ethanol
CID 104604414
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 102989027
2-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyridine-2,5-diamine
CID 43261264
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 104604869
2-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-yloxypyridine-2,5-diamine
CID 103004456

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine?
The IUPAC name of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine (CID 104602837) is 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine.
What is the SMILES notation for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine?
The canonical SMILES for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine is CC(C)Oc1nc(Sc2ncnn2C)ccc1N.
What is the InChIKey of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine?
The InChIKey is YAWLKUMVJCESOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-7(2)17-10-8(12)4-5-9(15-10)18-11-13-6-14-16(11)3/h4-7H,12H2,1-3H3.
What are the key properties of 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine?
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine has a molecular weight of 265.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-yloxypyridin-3-amine is sourced from PubChem (CID 104602837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).