5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine

C7H11F3N4O — CID 106960896

IUPAC5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCCC(F)(F)F)o1
InChIInChI=1S/C7H11F3N4O/c8-7(9,10)2-4-12-6-14-13-5(15-6)1-3-11/h1-4,11H2,(H,12,14)
InChIKeyHVPANLBKKMDSMT-UHFFFAOYSA-N
MW224.19 g/mol
LogP0.94
Rot. Bonds5

About 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine

5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106960896) has the molecular formula C7H11F3N4O and a molecular weight of 224.19 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
PubChem CID106960896
Molecular FormulaC7H11F3N4O
Molecular Weight224.19 g/mol
Exact Mass224.09
IUPAC Name5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine
SMILESNCCc1nnc(NCCC(F)(F)F)o1
InChIInChI=1S/C7H11F3N4O/c8-7(9,10)2-4-12-6-14-13-5(15-6)1-3-11/h1-4,11H2,(H,12,14)
InChIKeyHVPANLBKKMDSMT-UHFFFAOYSA-N
XLogP0.94
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine (CID 106960896) is 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine is NCCc1nnc(NCCC(F)(F)F)o1.
What is the InChIKey of 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is HVPANLBKKMDSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O/c8-7(9,10)2-4-12-6-14-13-5(15-6)1-3-11/h1-4,11H2,(H,12,14).
What are the key properties of 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine?
5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 224.19 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-(3,3,3-trifluoropropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).