(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

C6H12ClN3O — CID 53398866

IUPAC(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCC(C)c1nc(CN)no1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-4(2)6-8-5(3-7)9-10-6;/h4H,3,7H2,1-2H3;1H
InChIKeyHJIKHLGMGHWLIO-UHFFFAOYSA-N
MW177.63 g/mol
LogP1.07
Rot. Bonds2

About (5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride

(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (PubChem CID 53398866) has the molecular formula C6H12ClN3O and a molecular weight of 177.63 g/mol. Its IUPAC name is (5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
PubChem CID53398866
Molecular FormulaC6H12ClN3O
Molecular Weight177.63 g/mol
Exact Mass177.07
IUPAC Name(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
SMILESCC(C)c1nc(CN)no1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-4(2)6-8-5(3-7)9-10-6;/h4H,3,7H2,1-2H3;1H
InChIKeyHJIKHLGMGHWLIO-UHFFFAOYSA-N
XLogP1.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride 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-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The IUPAC name of (5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride (CID 53398866) is (5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The canonical SMILES for (5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride is CC(C)c1nc(CN)no1.Cl.
What is the InChIKey of (5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
The InChIKey is HJIKHLGMGHWLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-4(2)6-8-5(3-7)9-10-6;/h4H,3,7H2,1-2H3;1H.
What are the key properties of (5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride?
(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 1.07, 2 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-yl)methanamine;hydrochloride is sourced from PubChem (CID 53398866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).