5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine

C6H12N4O — CID 84650381

IUPAC5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)[C@H](N)c1nnc(N)o1
InChIInChI=1S/C6H12N4O/c1-3(2)4(7)5-9-10-6(8)11-5/h3-4H,7H2,1-2H3,(H2,8,10)/t4-/m0/s1
InChIKeyGVYUKBPSNPNMPA-BYPYZUCNSA-N
MW156.19 g/mol
LogP0.31
Rot. Bonds2

About 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine

5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine (PubChem CID 84650381) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine
PubChem CID84650381
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine
SMILESCC(C)[C@H](N)c1nnc(N)o1
InChIInChI=1S/C6H12N4O/c1-3(2)4(7)5-9-10-6(8)11-5/h3-4H,7H2,1-2H3,(H2,8,10)/t4-/m0/s1
InChIKeyGVYUKBPSNPNMPA-BYPYZUCNSA-N
XLogP0.31
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine (CID 84650381) is 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine is CC(C)[C@H](N)c1nnc(N)o1.
What is the InChIKey of 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GVYUKBPSNPNMPA-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N4O/c1-3(2)4(7)5-9-10-6(8)11-5/h3-4H,7H2,1-2H3,(H2,8,10)/t4-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine?
5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 156.19 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 84650381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).