4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C11H15N5O — CID 113291100

IUPAC4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN(C)CCc1noc(-c2ccnc(N)c2)n1
InChIInChI=1S/C11H15N5O/c1-16(2)6-4-10-14-11(17-15-10)8-3-5-13-9(12)7-8/h3,5,7H,4,6H2,1-2H3,(H2,12,13)
InChIKeyIZDVNSXVWXEINS-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.82
Rot. Bonds4

About 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine

4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 113291100) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID113291100
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCN(C)CCc1noc(-c2ccnc(N)c2)n1
InChIInChI=1S/C11H15N5O/c1-16(2)6-4-10-14-11(17-15-10)8-3-5-13-9(12)7-8/h3,5,7H,4,6H2,1-2H3,(H2,12,13)
InChIKeyIZDVNSXVWXEINS-UHFFFAOYSA-N
XLogP0.82
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 113291100) is 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CN(C)CCc1noc(-c2ccnc(N)c2)n1.
What is the InChIKey of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is IZDVNSXVWXEINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16(2)6-4-10-14-11(17-15-10)8-3-5-13-9(12)7-8/h3,5,7H,4,6H2,1-2H3,(H2,12,13).
What are the key properties of 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 233.28 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 113291100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).