6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

C12H19N5O — CID 65196396

IUPAC6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESCn1cc(-c2noc(CCCCCCN)n2)cn1
InChIInChI=1S/C12H19N5O/c1-17-9-10(8-14-17)12-15-11(18-16-12)6-4-2-3-5-7-13/h8-9H,2-7,13H2,1H3
InChIKeyIONVOYGQAGYCEZ-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.53
Rot. Bonds7

About 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine

6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (PubChem CID 65196396) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
PubChem CID65196396
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
SMILESCn1cc(-c2noc(CCCCCCN)n2)cn1
InChIInChI=1S/C12H19N5O/c1-17-9-10(8-14-17)12-15-11(18-16-12)6-4-2-3-5-7-13/h8-9H,2-7,13H2,1H3
InChIKeyIONVOYGQAGYCEZ-UHFFFAOYSA-N
XLogP1.53
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine 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

4-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191349
4-methyl-3-[2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196345
N-methyl-2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65196540
5-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103399467
5-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 114329248
3-[4,6-dimethyl-2-(1-methylpyrazol-4-yl)pyrimidin-5-yl]propan-1-amine
CID 65197742
6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 54933411
5-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43622167
5-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 62717251
6-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 104880999
6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 43152107

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The IUPAC name of 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine (CID 65196396) is 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine.
What is the SMILES notation for 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The canonical SMILES for 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is Cn1cc(-c2noc(CCCCCCN)n2)cn1.
What is the InChIKey of 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
The InChIKey is IONVOYGQAGYCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-17-9-10(8-14-17)12-15-11(18-16-12)6-4-2-3-5-7-13/h8-9H,2-7,13H2,1H3.
What are the key properties of 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine?
6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine has a molecular weight of 249.32 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine is sourced from PubChem (CID 65196396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).