5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride

C7H15ClN4O — CID 57463458

IUPAC5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1nnc(N)o1.Cl
InChIInChI=1S/C7H14N4O.ClH/c1-7(2,3)4(8)5-10-11-6(9)12-5;/h4H,8H2,1-3H3,(H2,9,11);1H/t4-;/m1./s1
InChIKeyQQUQPZKNEVESLS-PGMHMLKASA-N
MW206.68 g/mol
LogP1.12
Rot. Bonds1

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

5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride (PubChem CID 57463458) has the molecular formula C7H15ClN4O and a molecular weight of 206.68 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride
PubChem CID57463458
Molecular FormulaC7H15ClN4O
Molecular Weight206.68 g/mol
Exact Mass206.09
IUPAC Name5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride
SMILESCC(C)(C)[C@H](N)c1nnc(N)o1.Cl
InChIInChI=1S/C7H14N4O.ClH/c1-7(2,3)4(8)5-10-11-6(9)12-5;/h4H,8H2,1-3H3,(H2,9,11);1H/t4-;/m1./s1
InChIKeyQQUQPZKNEVESLS-PGMHMLKASA-N
XLogP1.12
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine
CID 57463457
[5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl]urea
CID 58124290
5-((S)-1-amino-2,2-dimethylpropyl)-[1,3,4]oxadiazol-2-ylamine dihydrochloride
CID 60209139
1-{5-[(1S)-1-Amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-yl}urea hydrochloride
CID 66952065
5-[(1S)-1-amino-2-methylbutyl]-1,3,4-oxadiazol-2-amine
CID 68737971
[5-(1-Amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]urea
CID 70969177
5-(1-Amino-2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
CID 72683379
5-(1-Amino-2-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 77546977
5-(1-Amino-2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 84650380
5-[(1S)-1-amino-2-methylpropyl]-1,3,4-oxadiazol-2-amine
CID 84650381
5-[(1S)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 134256929
5-[(1R)-1-amino-2-methylpropyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 134256930

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride (CID 57463458) is 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride is CC(C)(C)[C@H](N)c1nnc(N)o1.Cl.
What is the InChIKey of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
The InChIKey is QQUQPZKNEVESLS-PGMHMLKASA-N. The full InChI is InChI=1S/C7H14N4O.ClH/c1-7(2,3)4(8)5-10-11-6(9)12-5;/h4H,8H2,1-3H3,(H2,9,11);1H/t4-;/m1./s1.
What are the key properties of 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride?
5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride has a molecular weight of 206.68 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2,2-dimethylpropyl]-1,3,4-oxadiazol-2-amine;hydrochloride is sourced from PubChem (CID 57463458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).