5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine

C8H12N4O — CID 14742601

IUPAC5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine
SMILESCN1CCC=C(c2nc(N)no2)C1
InChIInChI=1S/C8H12N4O/c1-12-4-2-3-6(5-12)7-10-8(9)11-13-7/h3H,2,4-5H2,1H3,(H2,9,11)
InChIKeyBSMBZYQXPZLFGD-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.37
Rot. Bonds1

About 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine

5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 14742601) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine
PubChem CID14742601
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine
SMILESCN1CCC=C(c2nc(N)no2)C1
InChIInChI=1S/C8H12N4O/c1-12-4-2-3-6(5-12)7-10-8(9)11-13-7/h3H,2,4-5H2,1H3,(H2,9,11)
InChIKeyBSMBZYQXPZLFGD-UHFFFAOYSA-N
XLogP0.37
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine (CID 14742601) is 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine is CN1CCC=C(c2nc(N)no2)C1.
What is the InChIKey of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is BSMBZYQXPZLFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-4-2-3-6(5-12)7-10-8(9)11-13-7/h3H,2,4-5H2,1H3,(H2,9,11).
What are the key properties of 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine?
5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 180.21 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 14742601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).