5-propan-2-yl-1,2,4-oxadiazol-3-amine

C5H9N3O — CID 51072247

IUPAC5-propan-2-yl-1,2,4-oxadiazol-3-amine
SMILESCC(C)c1nc(N)no1
InChIInChI=1S/C5H9N3O/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3,(H2,6,8)
InChIKeyCVNFBRSKRMWWGV-UHFFFAOYSA-N
MW127.15 g/mol
LogP0.78
Rot. Bonds1

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

5-propan-2-yl-1,2,4-oxadiazol-3-amine (PubChem CID 51072247) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 5-propan-2-yl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-propan-2-yl-1,2,4-oxadiazol-3-amine
PubChem CID51072247
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name5-propan-2-yl-1,2,4-oxadiazol-3-amine
SMILESCC(C)c1nc(N)no1
InChIInChI=1S/C5H9N3O/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3,(H2,6,8)
InChIKeyCVNFBRSKRMWWGV-UHFFFAOYSA-N
XLogP0.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-propan-2-yl-1,2,4-oxadiazol-3-amine (CID 51072247) is 5-propan-2-yl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-propan-2-yl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-propan-2-yl-1,2,4-oxadiazol-3-amine is CC(C)c1nc(N)no1.
What is the InChIKey of 5-propan-2-yl-1,2,4-oxadiazol-3-amine?
The InChIKey is CVNFBRSKRMWWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3,(H2,6,8).
What are the key properties of 5-propan-2-yl-1,2,4-oxadiazol-3-amine?
5-propan-2-yl-1,2,4-oxadiazol-3-amine has a molecular weight of 127.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 51072247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).