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

C6H12N4O — CID 84650380

IUPAC5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)C(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)
InChIKeyGVYUKBPSNPNMPA-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.31
Rot. Bonds2

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

5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 84650380) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID84650380
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)C(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)
InChIKeyGVYUKBPSNPNMPA-UHFFFAOYSA-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

Analyze 5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine (CID 84650380) is 5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine is CC(C)C(N)c1nnc(N)o1.
What is the InChIKey of 5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is GVYUKBPSNPNMPA-UHFFFAOYSA-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).
What are the key properties of 5-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine?
5-(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-(1-amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 84650380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).