2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine

C11H15N5OS — CID 43262668

IUPAC2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine
SMILESCC(C)(C)Oc1nc(Sc2ncn[nH]2)ccc1N
InChIInChI=1S/C11H15N5OS/c1-11(2,3)17-9-7(12)4-5-8(15-9)18-10-13-6-14-16-10/h4-6H,12H2,1-3H3,(H,13,14,16)
InChIKeyAVWIXQBDQHXSSW-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.11
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine

2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine (PubChem CID 43262668) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine
PubChem CID43262668
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine
SMILESCC(C)(C)Oc1nc(Sc2ncn[nH]2)ccc1N
InChIInChI=1S/C11H15N5OS/c1-11(2,3)17-9-7(12)4-5-8(15-9)18-10-13-6-14-16-10/h4-6H,12H2,1-3H3,(H,13,14,16)
InChIKeyAVWIXQBDQHXSSW-UHFFFAOYSA-N
XLogP2.11
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine (CID 43262668) is 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine is CC(C)(C)Oc1nc(Sc2ncn[nH]2)ccc1N.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine?
The InChIKey is AVWIXQBDQHXSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-11(2,3)17-9-7(12)4-5-8(15-9)18-10-13-6-14-16-10/h4-6H,12H2,1-3H3,(H,13,14,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine?
2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine has a molecular weight of 265.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 43262668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).