N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine

C10H13N5O — CID 60836598

IUPACN-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cnccn2)no1
InChIInChI=1S/C10H13N5O/c1-7(2)13-6-9-14-10(15-16-9)8-5-11-3-4-12-8/h3-5,7,13H,6H2,1-2H3
InChIKeyHXPJNHVGLUSRNH-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.02
Rot. Bonds4

About N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine

N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (PubChem CID 60836598) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
PubChem CID60836598
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC NameN-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1nc(-c2cnccn2)no1
InChIInChI=1S/C10H13N5O/c1-7(2)13-6-9-14-10(15-16-9)8-5-11-3-4-12-8/h3-5,7,13H,6H2,1-2H3
InChIKeyHXPJNHVGLUSRNH-UHFFFAOYSA-N
XLogP1.02
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine (CID 60836598) is N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1nc(-c2cnccn2)no1.
What is the InChIKey of N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
The InChIKey is HXPJNHVGLUSRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7(2)13-6-9-14-10(15-16-9)8-5-11-3-4-12-8/h3-5,7,13H,6H2,1-2H3.
What are the key properties of N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine?
N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine has a molecular weight of 219.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 60836598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).