[5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride

C9H13ClN4O — CID 137194875

IUPAC[5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
SMILESCc1cc(-c2nc(CN)no2)c(C)[nH]1.Cl
InChIInChI=1S/C9H12N4O.ClH/c1-5-3-7(6(2)11-5)9-12-8(4-10)13-14-9;/h3,11H,4,10H2,1-2H3;1H
InChIKeyOUJGHBMMLJLXAV-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.56
Rot. Bonds2

About [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride

[5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride (PubChem CID 137194875) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
PubChem CID137194875
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name[5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
SMILESCc1cc(-c2nc(CN)no2)c(C)[nH]1.Cl
InChIInChI=1S/C9H12N4O.ClH/c1-5-3-7(6(2)11-5)9-12-8(4-10)13-14-9;/h3,11H,4,10H2,1-2H3;1H
InChIKeyOUJGHBMMLJLXAV-UHFFFAOYSA-N
XLogP1.56
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61323958
[5-(4-bromo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride
CID 137176547
5-[3-(2-aminoethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812623
[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651
[5-(5-methyl-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 55012566
[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 16767461
(5-naphthalen-1-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 61324776
[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 63211461
[5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326218
2-[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334501
[5-(2,3,4-trimethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324376
5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole
CID 94069253

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The IUPAC name of [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride (CID 137194875) is [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride is Cc1cc(-c2nc(CN)no2)c(C)[nH]1.Cl.
What is the InChIKey of [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
The InChIKey is OUJGHBMMLJLXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O.ClH/c1-5-3-7(6(2)11-5)9-12-8(4-10)13-14-9;/h3,11H,4,10H2,1-2H3;1H.
What are the key properties of [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride?
[5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 137194875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).