1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine

C10H12N4O — CID 61323577

IUPAC1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCCC(N)c1noc(-c2ccccn2)n1
InChIInChI=1S/C10H12N4O/c1-2-7(11)9-13-10(15-14-9)8-5-3-4-6-12-8/h3-7H,2,11H2,1H3
InChIKeyUVWQIBYHAVFWDM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.54
Rot. Bonds3

About 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine

1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine (PubChem CID 61323577) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
PubChem CID61323577
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
SMILESCCC(N)c1noc(-c2ccccn2)n1
InChIInChI=1S/C10H12N4O/c1-2-7(11)9-13-10(15-14-9)8-5-3-4-6-12-8/h3-7H,2,11H2,1H3
InChIKeyUVWQIBYHAVFWDM-UHFFFAOYSA-N
XLogP1.54
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The IUPAC name of 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine (CID 61323577) is 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine is CCC(N)c1noc(-c2ccccn2)n1.
What is the InChIKey of 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
The InChIKey is UVWQIBYHAVFWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-7(11)9-13-10(15-14-9)8-5-3-4-6-12-8/h3-7H,2,11H2,1H3.
What are the key properties of 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine?
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine has a molecular weight of 204.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine is sourced from PubChem (CID 61323577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).