6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine

C11H14N4O — CID 141213781

IUPAC6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(-c2ncno2)cc(NC(C)C)n1
InChIInChI=1S/C11H14N4O/c1-7(2)14-10-5-9(4-8(3)15-10)11-12-6-13-16-11/h4-7H,1-3H3,(H,14,15)
InChIKeyNGRWIGRUICUQAT-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.26
Rot. Bonds3

About 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine

6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine (PubChem CID 141213781) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine
PubChem CID141213781
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine
SMILESCc1cc(-c2ncno2)cc(NC(C)C)n1
InChIInChI=1S/C11H14N4O/c1-7(2)14-10-5-9(4-8(3)15-10)11-12-6-13-16-11/h4-7H,1-3H3,(H,14,15)
InChIKeyNGRWIGRUICUQAT-UHFFFAOYSA-N
XLogP2.26
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine (CID 141213781) is 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine is Cc1cc(-c2ncno2)cc(NC(C)C)n1.
What is the InChIKey of 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is NGRWIGRUICUQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7(2)14-10-5-9(4-8(3)15-10)11-12-6-13-16-11/h4-7H,1-3H3,(H,14,15).
What are the key properties of 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine?
6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(1,2,4-oxadiazol-5-yl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 141213781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).